SCHEMBL8901618

SCHEMBL8901618

Nc1ccc2c(c1)O[C@@H](C(=O)O)CC2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.43
PPARA Q07869 4/20 0.43
PPARD Q03181 3/20 0.43
CYP4F2 P78329 5/20 0.42
CYP4A11 Q02928 5/20 0.42
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 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
SCHEMBL8901622 1.00 PPARG (0.43) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL8901614 1.00 PPARG (0.43) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL4672071 0.88 CYP4F2 (0.44) PPARGPPARACYP4F2CYP4A11HDAC3
SCHEMBL4672065 0.88 CYP4F2 (0.44) PPARGPPARACYP4F2CYP4A11HDAC3
SCHEMBL5846797 0.88 CYP4F2 (0.44) PPARGPPARACYP4F2CYP4A11HDAC3
SCHEMBL3766656 0.84 SMN1; SMN2 (0.45) ESR2NFKB1NFKB2RELA
SCHEMBL7111420 0.83 ESR1 (0.56) ESR1ESR2
SCHEMBL9838132 0.83 ESR1 (0.56) ESR1ESR2
SCHEMBL7111422 0.83 ESR1 (0.56) ESR1ESR2
SCHEMBL10511106 0.81 PPARG (0.43) PPARGPPARAPPARDCYP4F2CYP4A11

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-5663194-A SCHIZOPHRENIA WYETH 1997-09-02 US disclosed