SCHEMBL9657108

SCHEMBL9657108

CC(C)(C)c1cc(C=CC(=O)C=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.72
GABBR1 Q9UBS5 2/20 0.72
CYP1A2 P05177 4/20 0.58
CYP2C9 P11712 3/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2B6 P20813 2/20 0.58
PTGS1 P23219 4/20 0.56
PTGS2 P35354 4/20 0.56
TNFRSF1A P19438 1/20 0.55
HTT P42858 1/20 0.52
ALOX5 P09917 2/20 0.50
EEF2K O00418 1/20 0.50
SRC P12931 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48

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
SCHEMBL28993505 0.90 GABBR2 (0.64) GABBR2GABBR1CYP1A2CYP2C9CYP3A4
SCHEMBL225771 0.87 GABBR2 (0.75) GABBR2GABBR1CYP1A2CYP2C9PTGS1
SCHEMBL6917697 0.87 GABBR2 (0.70) GABBR2GABBR1CYP1A2CYP2C9PTGS1
SCHEMBL6917701 0.87 GABBR2 (0.70) GABBR2GABBR1CYP1A2CYP2C9PTGS1
SCHEMBL225772 0.87 GABBR2 (0.75) GABBR2GABBR1CYP1A2CYP2C9PTGS1
SCHEMBL10001228 0.87 GABBR2 (0.75) GABBR2GABBR1CYP1A2CYP2C9PTGS1
SCHEMBL10897581 0.85 GABBR2 (0.68) GABBR2GABBR1CYP1A2CYP2C9PTGS1
Methane SCHEMBL5712560 0.85 GABBR2 (0.73) GABBR2GABBR1CYP1A2CYP2C9PTGS1
SCHEMBL4450576 0.85 GABBR2 (0.68) GABBR2GABBR1CYP1A2CYP2C9PTGS1
SCHEMBL9227326 0.85 GABBR2 (0.68) GABBR2GABBR1CYP1A2CYP2C9CYP3A4

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
WO-2024060641-A1 CYCLOTRIARYLPHOSPHINE, METHOD FOR PREPARING SAME, AND USE THEREOF 东莞市均成高新材料有限公司 2024-03-28 WO disclosed
CN-115850329-A Cycloterpyriaryl phosphines, their preparation and use 东莞市均成高新材料有限公司 2023-03-28 CN disclosed
US-5144003-A Curable copolymers containing 1,5-bis(4-carboxycyclohexyl)-3-pentanol monomer; castings and moldings EASTMAN KODAK COMPANY (US) 1992-09-01 US disclosed
US-5025086-A Hardness, flexibility EASTMAN KODAK COMPANY (US) 1991-06-18 US disclosed
US-4965399-A 1,5-diaryl-3-pentanol compounds and processes for the preparation thereof EASTMAN KODAK COMPANY (US) 1990-10-23 US disclosed