SCHEMBL1648141

SCHEMBL1648141

Clc1ccc(CCSSCCc2ccc(Cl)cc2Cl)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP2C19 P33261 1/20 0.57
IDO1 P14902 6/20 0.54
HTT P42858 2/20 0.46
ACLY P53396 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
MAOA P21397 1/20 0.44

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
SCHEMBL6011649 0.87 CYP1A2 (0.63) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL11621292 0.84 IDO1 (0.65) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL14534844 0.83 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL13799438 0.82 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL7020135 0.77 IDO1 (0.58) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL29587149 0.77 IDO1 (0.58) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL398220 0.76 IDO1 (0.56) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL1805717 0.76 IDO1 (0.56) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL1779915 0.76 IDO1 (0.56) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL6011650 0.76 IDO1 (0.68) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426526-B2 Solid golf ball SRI SPORTS LIMITED (JP) 2013-04-23 US disclosed
US-20110086727-A1 SOLID GOLF BALL SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2011-04-14 US disclosed