SCHEMBL9869550

SCHEMBL9869550

CCc1ccc(O[C@@H](C)C[C@H](C)Oc2ccc(CC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
CYP2C19 P33261 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
LTA4H P09960 1/20 0.39
CYP1A2 P05177 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.37
ACACB O00763 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
SCHEMBL18473337 0.87 ACACB (0.47) PPARGPPARACYP2C19SMN1; SMN2POLB
SCHEMBL10652597 0.83 PPARG (0.46) PPARGPPARACYP2C19SMN1; SMN2POLB
SCHEMBL805120 0.82 POLB (0.57) PPARGPPARACYP2C19POLBCYP1A2
SCHEMBL5300988 0.82 PPARG (0.47) PPARGPPARACYP2C19SMN1; SMN2POLB
SCHEMBL13448695 0.82 MAPT (0.46) PPARGPPARACYP2C19SMN1; SMN2POLB
SCHEMBL12808611 0.79 PPARG (0.40) PPARGPPARACYP2C19SMN1; SMN2POLB
SCHEMBL13198599 0.78 NQO1 (0.61) SMN1; SMN2LTA4HALDH1A1MAPTHPGD
SCHEMBL9869517 0.78 NQO1 (0.61) SMN1; SMN2LTA4HALDH1A1MAPTHPGD
SCHEMBL23067917 0.78 PPARG (0.45) PPARGPPARACYP2C19SMN1; SMN2POLB
SCHEMBL24455139 0.78 PPARG (0.45) PPARGPPARACYP2C19SMN1; SMN2POLB

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-5043094-A Optically active bisaryl compound ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1991-08-27 US claimed
US-5043094-A Optically active bisaryl compound ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1991-08-27 US disclosed