SCHEMBL1509680

SCHEMBL1509680

CC[C]=Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
RELA Q04206 1/20 0.38
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
CYP2A6 P11509 1/20 0.36
LMNA P02545 2/20 0.36
TRPA1 O75762 2/20 0.36
ALOX5 P09917 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.34
HTR2A P28223 2/20 0.33
NFE2L2 Q16236 1/20 0.33
NR1I2 O75469 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5083636 1.00 MAOB (0.42) MAOBRELAALDH1A1TSHRTP53
SCHEMBL4076697 0.81 MAOB (0.39) MAOBRELAALDH1A1TSHRTP53
SCHEMBL11424521 0.81 MAOB (0.39) MAOBRELAALDH1A1TSHRTP53
SCHEMBL15419403 0.78 LMNA (0.40) MAOBRELALMNA
SCHEMBL6833778 0.76 CISD1 (0.37) MAOBALDH1A1LMNAALOX5MEN1
SCHEMBL9455228 0.76 ALDH1A1 (0.48) ALDH1A1CYP2A6LMNA
SCHEMBL4352176 0.76 RELA (0.35) MAOBRELAALDH1A1TSHRTP53
SCHEMBL10492237 0.76 LMNA (0.42) MAOBTP53LMNAMAPK1MEN1
SCHEMBL8369796 0.76 LMNA (0.42) MAOBTP53LMNAMAPK1MEN1
SCHEMBL8369798 0.76 LMNA (0.42) MAOBTP53LMNAMAPK1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295592-B1 An enzyme reaction method and a method for enzymatically producing an optically active cyanohydrin NIPPON CATALYTIC CHEM IND (JP) 2012-12-26 EP disclosed
CN-101504399-B Qualitative and quantitative analysis method for hydrogenated tail-oil long and straight side chain cycloparaffin and alkylbenzene BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY (CN) 2011-12-07 CN disclosed
EP-1160329-B1 An enzyme reaction method and a method for enzymatically producing an optically active cyanohydrin NIPPON CATALYTIC CHEM IND (JP) 2011-04-06 EP disclosed
EP-2295592-A1 An enzyme reaction method and a method for enzymatically producing an optically active cyanohydrin Nippon Shokubai Co., Ltd. (JP) 2011-03-16 EP disclosed
CN-101504399-A Qualitative and quantitative analysis method for hydrogenated tail-oil long and straight side chain cycloparaffin and alkylbenzene UNIV BEIJING CHEMICAL (CN) 2009-08-12 CN disclosed
EP-1958969-A1 A phosphine-substituted vinyl containing metallocene catalyst, preparation process and the application of the same Petrochina Company Limited (CN) 2008-08-20 EP disclosed
EP-1160235-B1 A method for producing alpha-hydroxycarboxylic acid NIPPON CATALYTIC CHEM IND (JP) 2006-09-20 EP disclosed
US-7078225-B2 Method for enzymatically producing an optically active cyanohydrin NIPPON SHOKUBAI CO., LTD. (JP) 2006-07-18 US disclosed
EP-1043021-B1 PURINE DERIVATIVES FOR THE TREATMENT OF ALLERGIC DISEASES AND SYSTEMIC LUPUS ERYTHEMATOSUS DAINIPPON SUMITOMO PHARMA CO (JP) 2006-05-03 EP disclosed
EP-0882727-B9 NOVEL PURINE DERIVATIVES SUMITOMO PHARMA (JP) 2005-06-15 EP disclosed
US-6376501-B1 INHIBITING OR REGULATING IMMUNE RESPONSE USING PURINE-DERIVED COMPOUND; NON-STEROIDAL COMPOUND JAPAN ENERGY CORPORATION (JP) 2002-04-23 US disclosed
US-20020006646-A1 Enzyme reaction method and a method for enzymatically producing an optically active cyanohydrin NIPPON SHOKUBAI CO., LTD. 2002-01-17 US disclosed
EP-1160329-A2 An enzyme reaction method and a method for enzymatically producing an optically active cyanohydrin Nippon Shokubai Co., Ltd. (JP) 2001-12-05 EP disclosed
EP-1160235-A2 A method for producing alpha-hydroxycarboxylic acid Nippon Shokubai Co., Ltd. (JP) 2001-12-05 EP disclosed
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-1043021-A1 TYPE 2 HELPER T CELL-SELECTIVE IMMUNE RESPONSE SUPPRESSORS Japan Energy Corporation (JP) 2000-10-11 EP disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed
US-6028076-A FOR INDUCING .ALPHA.-INTERFERON IN A PATIENT HAVING HEPATITIS B OR C, BY ADMINISTERING PURINE DERIVATIVE JAPAN ENERGY CORPORATION (JP) 2000-02-22 US disclosed
EP-0882727-A1 NOVEL PURINE DERIVATIVES JAPAN ENERGY CORPORATION (JP) 1998-12-09 EP disclosed
EP-0549222-A2 Siloxy-functional cyclopolysiloxanes DOW CORNING CORPORATION (US) 1993-06-30 EP disclosed