SCHEMBL4186791

SCHEMBL4186791

CC(=O)OCc1ccc2cc(COC(C)=O)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.59
ALDH1A1 P00352 3/20 0.59
CA2 P00918 1/20 0.55
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 2/20 0.46
CYP1A2 P05177 2/20 0.46
MAOA P21397 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
SLC6A2 P23975 1/20 0.46
RAB9A P51151 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
PTGS1 P23219 1/20 0.44
TACR1 P25103 1/20 0.43
IDH1 O75874 1/20 0.42
GSTA2 P09210 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
SCHEMBL11320167 0.96 CYP3A4 (0.56) CYP3A4ALDH1A1CA2KDM4ELMNA
SCHEMBL14070555 0.93 CYP3A4 (0.53) CYP3A4ALDH1A1CA2KDM4ELMNA
SCHEMBL487508 0.93 ALDH1A1 (0.61) CYP3A4ALDH1A1CA2CYP1A2RAB9A
SCHEMBL10996267 0.93 CYP3A4 (0.53) CYP3A4ALDH1A1CA2KDM4ELMNA
SCHEMBL6338247 0.88 CYP3A4 (0.49) CYP3A4ALDH1A1CA2KDM4ELMNA
SCHEMBL9762060 0.88 GRIN2D (0.52) CYP3A4ALDH1A1CA2KDM4ETP53
SCHEMBL10989390 0.85 PTPN11 (0.49) CYP3A4ALDH1A1CA2KDM4ENPC1
SCHEMBL132773 0.84 ALDH1A1 (0.78) CYP3A4ALDH1A1CA2KDM4ELMNA
SCHEMBL1324374 0.81 CA2 (0.43) CYP3A4ALDH1A1CA2KDM4ELMNA
SCHEMBL6709375 0.81 ALDH1A1 (0.73) CYP3A4ALDH1A1CA2KDM4ESLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601775-B2 Fire retardant resin composition, method of its production, shaped articles comprising the same, and silica NIPPON SHOKUBAI CO., LTD. (JP) 2009-10-13 US disclosed
US-20060167164-A1 Fire retardant resin composition, method of its production, shaped articles comprising the same, and silica NIPPON SHOKUBAI CO., LTD. (JP) 2006-07-27 US disclosed
CN-1656177-A Fire retardant resin composition, method of its production, shaped articles comprising the same, and silica NIPPON CATALYTIC CHEM IND (JP) 2005-08-17 CN disclosed
EP-1507829-A1 FIRE RETARDANT RESIN COMPOSITION, METHOD OF ITS PRODUCTION, SHAPED ARTICLES COMPRISING THE SAME, AND SILICA Nippon Shokubai Co., Ltd. (JP) 2005-02-23 EP disclosed
WO-2003099934-A1 FIRE RETARDANT RESIN COMPOSITION, METHOD OF ITS PRODUCTION, SHAPED ARTICLES COMPRISING THE SAME, AND SILICA NIPPON SHOKUBAI CO., LTD. (JP) 2003-12-04 WO disclosed
EP-0311387-B1 AROMATIC AMINE RESINS, THEIR PRODUCTION PROCESS AND THERMOSETTING RESIN COMPOSITIONS MAKING USE OF THE SAME MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-08-11 EP disclosed
EP-0342943-B1 THERMOSETTING RESIN COMPOSITION MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-08-04 EP disclosed
US-5145949-A Production process for making aromatic amine resins MITSUI TOATSU CHEMICALS, INC. (JP) 1992-09-08 US disclosed
US-5106953-A Reacting aromatic amines with bishalogenomethyl derivatives; curing agents or raw materials for polyamides MITSUI TOATSU CHEMICALS, INC. (JP) 1992-04-21 US disclosed
US-5051494-A A bismaleimide and an amino resin MITSUI TOATSU CHEMICALS, INC. (JP) 1991-09-24 US disclosed
US-4959443-A HIGH STRENGTH, REACTION OF ARALKYL ALCOHOL AND AROMATIC AMINE MITSUI TOATSU CHEMICALS, INC. (JP) 1990-09-25 US disclosed
US-4937318-A Aromatic amine resins MITSUI TOATSU CHEMICALS, INC. (JP) 1990-06-26 US disclosed
EP-0342943-A1 Thermosetting resin composition MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-11-23 EP disclosed
EP-0311387-A2 Aromatic amine resins, their production process and thermosetting resin compositions making use of the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-04-12 EP disclosed