SCHEMBL8889115

SCHEMBL8889115

[CH2]C(C)Oc1ccc(CC)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
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
RXRA P19793 1/20 0.37
RXRB P28702 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
SCHEMBL805120 0.82 POLB (0.57) PPARGPPARACYP2C19POLBCYP1A2
SCHEMBL5300988 0.82 PPARG (0.47) PPARGPPARACYP2C19SMN1; SMN2POLB
SCHEMBL9869550 0.78 PPARG (0.45) PPARGPPARACYP2C19SMN1; SMN2POLB
SCHEMBL8888132 0.78 NQO1 (0.61) SMN1; SMN2ALDH1A1MAPTHPGDTSHR
SCHEMBL13156094 0.78 PPARG (0.45) PPARGPPARACYP2C19SMN1; SMN2POLB
SCHEMBL24455139 0.78 PPARG (0.45) PPARGPPARACYP2C19SMN1; SMN2POLB
SCHEMBL23067917 0.78 PPARG (0.45) PPARGPPARACYP2C19SMN1; SMN2POLB
SCHEMBL8361506 0.78 PPARG (0.49) PPARGPPARACYP2C19SMN1; SMN2POLB
SCHEMBL18473337 0.78 ACACB (0.47) PPARGPPARACYP2C19SMN1; SMN2POLB
SCHEMBL12603806 0.77 POLB (0.52) PPARGPPARACYP2C19POLBCYP1A2

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-5691340-A CENTRAL NERVOUS SYSTEM DISORDERS, STROKES, CARDIOVASCULAR DISORDERS, ALZHEIMER*S DISEASE OR ANTIINFLAMMATORY AGENTS ADIR ET COMPAGNIE (FR) 1997-11-25 US disclosed