SCHEMBL18496743

SCHEMBL18496743

COc1ccccc1C(CC1CC1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ CHRM2 P08172 1/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ CHRM5 P08912 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ APOBEC3A P31941 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL2404025 0.87 POLB (0.42) POLBHTTNPSR1L3MBTL1CYP2C9
SCHEMBL29889833 0.79 POLB (0.53) POLBHTTNPSR1L3MBTL1KMT2A
SCHEMBL27436626 0.79 POLB (0.53) POLBHTTNPSR1L3MBTL1KMT2A
SCHEMBL24977468 0.79 POLB (0.53) POLBHTTNPSR1L3MBTL1KMT2A
SCHEMBL1999919 0.79 POLB (0.53) POLBHTTNPSR1L3MBTL1KMT2A
SCHEMBL3385979 0.78 POLB (0.51) POLBHTTNPSR1L3MBTL1KMT2A
SCHEMBL6387359 0.78 POLB (0.55) POLBHTTNPSR1L3MBTL1KMT2A
SCHEMBL29794297 0.76 CYP2D6 (0.51) POLBHTTNPSR1L3MBTL1CYP2C19
Hydrochloric Acid SCHEMBL21632067 0.76 POLB (0.50) POLBHTTNPSR1L3MBTL1KMT2A
SCHEMBL467919 0.76 CYP2D6 (0.51) POLBHTTNPSR1L3MBTL1CYP2C19

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
WO-2017027312-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 — — WO disclosed
WO-2017027309-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 — — WO disclosed
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