SCHEMBL9307527

SCHEMBL9307527

CC(C)(C)c1cc(/C=C/CNC(CO)C(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 2/20 0.48
▸ GABBR1 Q9UBS5 2/20 0.48
▸ TNFRSF1A P19438 1/20 0.41
▸ PTGS1 P23219 4/20 0.40
▸ PTGS2 P35354 4/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40
▸ ALOX5 P09917 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ VCAM1 P19320 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ EEF2K O00418 1/20 0.37
▸ SRC P12931 1/20 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
SCHEMBL9307535 1.00 GABBR2 (0.48) GABBR2GABBR1TNFRSF1APTGS1PTGS2
SCHEMBL9307541 1.00 GABBR2 (0.48) GABBR2GABBR1TNFRSF1APTGS1PTGS2
SCHEMBL9307546 1.00 GABBR2 (0.48) GABBR2GABBR1TNFRSF1APTGS1PTGS2
SCHEMBL9311194 0.88 GABBR2 (0.43) GABBR2GABBR1TNFRSF1APTGS1PTGS2
SCHEMBL9311202 0.88 GABBR2 (0.43) GABBR2GABBR1TNFRSF1APTGS1PTGS2
SCHEMBL9311190 0.88 GABBR2 (0.43) GABBR2GABBR1TNFRSF1APTGS1PTGS2
SCHEMBL7964070 0.73 GABBR2 (0.59) GABBR2GABBR1TNFRSF1APTGS1PTGS2
SCHEMBL31375211 0.72 GABBR2 (0.58) GABBR2GABBR1PTGS1PTGS2ALOX5
SCHEMBL4450572 0.70 GABBR2 (0.68) GABBR2GABBR1TNFRSF1APTGS1PTGS2
SCHEMBL4450576 0.70 GABBR2 (0.68) GABBR2GABBR1TNFRSF1APTGS1PTGS2

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-5352677-A Antihyperlipidemic agents KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1994-10-04 — — US disclosed
EP-0407200-B1 Cinnamamide derivatives KANEGAFUCHI CHEMICAL IND (JP) 1994-06-01 — — EP disclosed
US-5294624-A Antiartheriosclerosis KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1994-03-15 — — US disclosed
US-5294643-A Cinnamamide derivative KANEGAFUCHI KAGAKU KOGYO KABUSHIKI (JP) 1994-03-15 — — US disclosed
EP-0407200-A1 Cinnamamide derivatives KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-01-09 — — EP disclosed
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