SCHEMBL7929534

SCHEMBL7929534

CCCOCCOc1ccc(OB(Oc2ccc(OCCOCCC)c(OCC)c2)Oc2ccc(OCCOCCC)c(OCC)c2)cc1OCC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 2/20 0.41
CASP6 P55212 1/20 0.41
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 5/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL7931735 0.91 L3MBTL1 (0.44) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL7929511 0.91 L3MBTL1 (0.42) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL7222571 0.89 POLB (0.42) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL7969081 0.88 NCF1 (0.40) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL7922017 0.86 MAPT (0.44) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL6343598 0.86 NQO1 (0.44) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL7934178 0.84 ALDH1A1 (0.39) L3MBTL1POLBLMNAALDH1A1MEN1
SCHEMBL7931127 0.82 L3MBTL1 (0.48) L3MBTL1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL7931739 0.79 POLB (0.44) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL7929514 0.79 POLB (0.43) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140896-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 Takeda Chemical Industries, Ltd. (JP) 2001-10-10 EP disclosed
US-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
WO-2000037455-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-06-29 WO disclosed