SCHEMBL8884992

SCHEMBL8884992

[CH2]Sc1c(C(C)C)cc(C(C)C)cc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
FABP4 P15090 3/20 0.43
FABP3 P05413 2/20 0.43
FABP5 Q01469 1/20 0.42
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ALDH1A1 P00352 2/20 0.30
GAA P10253 1/20 0.30
ALOX12 P18054 1/20 0.30
HTT P42858 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL915884 0.80 GABRA1 (0.48) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL31502507 0.80 GABRA1 (0.48) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL8884997 0.78 GABRA1 (0.46) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL21415476 0.76 GABRA1 (0.45) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL6063410 0.76 GABRA1 (0.45) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL17125433 0.76 GABRA1 (0.50) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL28111265 0.76 GABRA1 (0.45) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL31114144 0.76 GABRA1 (0.41) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL7064227 0.74 GABRA1 (0.43) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL3192221 0.74 GABRA1 (0.43) GABRA1GABRB2FABP4FABP3FABP5

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-5616601-A 1,2-aryl and heteroaryl substituted imidazolyl compounds for the treatment of inflammation GD SEARLE & CO (US) 1997-04-01 US claimed
US-5616601-A 1,2-aryl and heteroaryl substituted imidazolyl compounds for the treatment of inflammation GD SEARLE & CO (US) 1997-04-01 US disclosed