SCHEMBL4185213

SCHEMBL4185213

CC(=O)Oc1ccc2c(OC(C)=O)cccc2c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.57
HTT P42858 1/20 0.51
MAPK1 P28482 1/20 0.46
ESR1 P03372 4/20 0.46
KDM4E B2RXH2 3/20 0.46
PTGS2 P35354 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
HMGB1 P09429 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
GGT1 P19440 1/20 0.46
PTGS1 P23219 1/20 0.46
BLM P54132 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
GBA1 P04062 1/20 0.46
NCEH1 Q6PIU2 1/20 0.45

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
SCHEMBL6688920 0.88 HTT (0.56) ACHEHTTMAPK1ESR1KDM4E
SCHEMBL30002719 0.84 HTT (0.61) HTTESR1KDM4EPTGS2TDP1
SCHEMBL544041 0.84 ACHE (0.69) ACHEHTTMAPK1ESR1KDM4E
SCHEMBL4444465 0.84 HTT (0.61) HTTESR1KDM4EPTGS2TDP1
SCHEMBL12748859 0.83 HTT (0.57) ACHEHTTMAPK1ESR1KDM4E
SCHEMBL11207630 0.81 ESR1 (0.53) ACHEHTTMAPK1ESR1KDM4E
SCHEMBL9685110 0.81 HTT (0.69) ACHEHTTMAPK1ESR1KDM4E
SCHEMBL4355130 0.81 NCEH1 (0.49) ACHEHTTMAPK1ESR1KDM4E
SCHEMBL27913985 0.80 HTT (0.50) HTTMAPK1ESR1KDM4EPTGS2
SCHEMBL12723861 0.80 ACHE (0.57) ACHEHTTMAPK1ESR1KDM4E

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 5 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