SCHEMBL7713701

SCHEMBL7713701

COc1cc(C=Cc2ccc(OCc3ccccc3)cc2)ccc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.57
LCK P06239 1/20 0.52
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
BACE1 P56817 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
CYP1A1 P04798 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP1B1 Q16678 1/20 0.49

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
SCHEMBL14685966 0.84 PTGER4 (0.48) GSK3BALDH1A1HPGDKDM4EHDAC3
SCHEMBL14685969 0.84 PTGER4 (0.48) GSK3BALDH1A1HPGDKDM4EHDAC3
SCHEMBL2901054 0.78 MAOB (0.47) HDAC6CYP1A2PDGFRBPDGFRA
SCHEMBL14686076 0.78 PTGER4 (0.41) GSK3BLCKALDH1A1HPGDKDM4E
SCHEMBL14686077 0.78 PTGER4 (0.41) GSK3BLCKALDH1A1HPGDKDM4E
SCHEMBL19734612 0.78 APP (0.70) ALDH1A1HPGDKDM4EHDAC3HDAC4
SCHEMBL5522119 0.76 LMNA (0.53) KDM4EHDAC6CYP1A2
SCHEMBL2901494 0.76 PPARG (0.45) PPARG
SCHEMBL28440296 0.76 APP (0.61) GSK3BLCKALDH1A1HPGDKDM4E
SCHEMBL14686176 0.76 PTGER4 (0.43) GSK3BLCKALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376524-B1 ANTIALLERGENS, ANTIHISTAMINES SUNESIS PHARMACEUTICALS, INC. 2002-04-23 US disclosed