SCHEMBL9876472

SCHEMBL9876472

CCCc1cc2ccc(C(C)C)ccc-2c1CC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
PPARG P37231 10/20 0.36
PPARA Q07869 10/20 0.36
LMNA P02545 1/20 0.34
GABRA1 P14867 3/20 0.34
GABRB2 P47870 3/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
UCHL3 P15374 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
HTR1D P28221 1/20 0.31
GCGR P47871 1/20 0.31

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
SCHEMBL9876293 0.81 CTSS (0.41) ALOX5PPARGPPARA
SCHEMBL9874354 0.80 GCGR (0.39) ALOX5LMNAUCHL3GCGR
SCHEMBL9876206 0.80 GCGR (0.39) ALOX5LMNAUCHL3GCGR
SCHEMBL9876434 0.80 GCGR (0.39) ALOX5LMNAUCHL3GCGR
SCHEMBL8207444 0.78 PPARA (0.37) ALOX5PPARGPPARALMNAUCHL3
SCHEMBL21507887 0.70 PPARG (0.42) PPARGPPARALMNAUCHL3HTR1D
SCHEMBL9876309 0.69 CTSS (0.44) ALOX5PPARGPPARA
SCHEMBL24751622 0.68 PPARG (0.40) PPARGPPARALMNAHTR1D
SCHEMBL20244408 0.68 PPARG (0.43) PPARGPPARALMNAHTR1D
SCHEMBL9825402 0.68 ALOX5 (0.39) ALOX5GABRA1GABRB2AKR1C3AKR1C2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed