SCHEMBL27930367

SCHEMBL27930367

Cc1cc(-c2ccc(C(F)(F)F)cc2)oc1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.49
RXRB P28702 5/20 0.49
RXRG P48443 5/20 0.49
FFAR1 O14842 1/20 0.48
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
AGBL2 Q5U5Z8 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
PPARD Q03181 5/20 0.42
PPARA Q07869 4/20 0.42
PPARG P37231 2/20 0.41
AR P10275 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL3102384 0.82 AR (0.42) FFAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL3903260 0.81 RXRA (0.52) RXRARXRBRXRGFFAR1PSEN1
SCHEMBL3903168 0.78 ALDH1A1 (0.50) RXRARXRBFFAR1PSEN1PSEN2
SCHEMBL27748366 0.76 CYP1A1 (0.39) FFAR1ERAP1PPARDPPARAPPARG
SCHEMBL5860624 0.75 PPARD (0.72) PPARDPPARAPPARG
SCHEMBL5861681 0.75 PPARD (0.72) PPARDPPARAPPARG
SCHEMBL3906708 0.75 PPARD (0.64) PPARDPPARAPPARG
SCHEMBL3804094 0.74 PPARD (0.66) RXRARXRBRXRGFFAR1PSEN1
SCHEMBL3901311 0.74 FFAR1 (0.43) RXRARXRBRXRGFFAR1PSEN1
SCHEMBL3915373 0.74 FFAR1 (0.56) RXRARXRBRXRGFFAR1PSEN1

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
CN-101479008-B PPAR-delta agonist benzazepine-oxyacetic acid derivatives for raising HDL-C, lowering LDL-C and lowering cholesterol JANSSEN PHARMACEUTICA NV 2013-07-17 CN disclosed