SCHEMBL6199039

SCHEMBL6199039

CCC(=O)N1[CH]CCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
RAB9A P51151 1/20 0.45
NOTUM Q6P988 3/20 0.45
ALDH1A1 P00352 4/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
HSD17B3 P37058 1/20 0.41

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
SCHEMBL1450289 0.81 NOTUM (0.54) TSHRNOTUMALDH1A1MEN1KMT2A
SCHEMBL15800708 0.76 NPC1 (0.69) NPC1MITFRAB9AALDH1A1MTNR1A
SCHEMBL6198490 0.75 HPGD (0.57) NPC1RAB9AALDH1A1POLBKMT2A
SCHEMBL5006023 0.73 TSHR (0.75) TSHRNPC1RAB9ANOTUMALDH1A1
SCHEMBL6199042 0.73 TSHR (0.44) TSHRNPC1MITFRAB9ANOTUM
Oxalic Acid SCHEMBL31255996 0.72 NPC1 (0.63) NPC1MITFRAB9AALDH1A1POLB
SCHEMBL29520673 0.71 NOTUM (0.69) TSHRNOTUMALDH1A1POLBMEN1
SCHEMBL22102183 0.71 HSD17B3 (0.71) TSHRNOTUMALDH1A1POLBMEN1
SCHEMBL3660180 0.71 NOTUM (0.69) TSHRNOTUMALDH1A1POLBMEN1
SCHEMBL2157866 0.70 ALDH1A1 (0.41) TSHRNPC1MITFRAB9ANOTUM

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1130017-B1 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMA CO LTD (JP) 2005-06-15 EP disclosed
EP-0934937-B1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMA CO LTD (JP) 2002-02-27 EP disclosed
US-RE37556-E1 (ALKOXYPHENYL)THIAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1130017-A2 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 EP disclosed
US-6080764-A PROTECTING VARIOUS TISSUE CELLS FROM DISTURBANCES ASSOCIATED WITH ISCHEMIA AND BLOOD REPERFUSION IN HEART, BRAIN, KIDNEY, LUNG AND DIGESTIVE TRACT BY INHIBITING SUPEROXIDE-RELEASE BY NEUTROPHILIC LEUKOCYTES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 US disclosed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
US-5677319-A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed