SCHEMBL6714136

SCHEMBL6714136

Cc1cc(CC(CC(CC(Cc2cc(C)c(O)c(C(C)(C)C)c2)C(=O)O)(CC(Cc2cc(C)c(O)c(C(C)(C)C)c2)C(=O)O)CC(Cc2cc(C)c(O)c(C(C)(C)C)c2)C(=O)O)C(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
HMGCR P04035 2/20 0.40
GLRA3 O75311 1/20 0.38
GLRB P48167 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 4/20 0.37
TSHR P16473 3/20 0.37
MEN1 O00255 3/20 0.37
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 2/20 0.37
BLM P54132 2/20 0.37
ATM Q13315 2/20 0.37
HIF1A Q16665 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
USP2 O75604 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 4/20 0.37

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
SCHEMBL201844 0.91 HMGCR (0.47) CYP1A2CYP2C9CYP2C19HMGCRGLRA3
SCHEMBL29228065 0.89 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19HMGCRGLRA3
SCHEMBL8778314 0.88 HMGB1 (0.41) CYP1A2HMGB1CXCL12
SCHEMBL2133313 0.85 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19HMGCRGLRA3
SCHEMBL2856982 0.84 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19HMGCRGLRA3
SCHEMBL5817828 0.84 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19HMGCRGLRA3
SCHEMBL2945793 0.83 PPARG (0.43) CYP1A2CYP2C9CYP2C19HMGCRKMT2A
SCHEMBL2024768 0.83 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19HMGCRGLRA3
SCHEMBL30077247 0.83 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19HMGCRGLRA3
SCHEMBL9117848 0.83 HMGCR (0.43) CYP1A2CYP2C9CYP2C19HMGCRGLRA3

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-1085069-B1 Heat activatable adhesive composition and adhesive sheet having adhesive layer thereof RICOH KK (JP) 2004-12-08 EP disclosed
US-6500536-B1 FUSIBLE THERMOPLASTIC RESIN AND HINDERED PHENOL; HOT MELT ADHESIVES; HEAT SENSITIVE RECORDING LABELS RICOH COMPANY, LTD. (JP) 2002-12-31 US disclosed
EP-1085069-A1 Heat activatable adhesive composition and adhesive sheet having adhesive layer thereof Ricoh Company, Ltd. (JP) 2001-03-21 EP disclosed