SCHEMBL8696231

SCHEMBL8696231

O=C(O)c1ccccc1CC(C(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.53
CYP2C19 P33261 1/20 0.47
SRC P12931 1/20 0.45
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
POLB P06746 1/20 0.44
EPHX1 P07099 1/20 0.43
MAPT P10636 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
EPHX2 P34913 1/20 0.41
PPARG P37231 1/20 0.41
CYP2D6 P10635 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL11369027 0.88 FOLH1 (0.48) FOLH1CYP2C19SRCALDH1A1ALOX15
SCHEMBL17338922 0.85 FOLH1 (0.44) FOLH1SRCALDH1A1TSHRGAA
SCHEMBL20522793 0.84 FOLH1 (0.51) FOLH1ALDH1A1ALOX15TSHRPOLB
SCHEMBL10409409 0.83 FOLH1 (0.57) FOLH1SRCALDH1A1ALOX15TSHR
SCHEMBL28743175 0.80 AKR1B1 (0.52) CYP2C19SRCPOLBEPHX1EPHX2
SCHEMBL28062032 0.79 PPARG (0.49) CYP2C19ALDH1A1POLBEPHX1P4HTM
SCHEMBL22394880 0.79 PPARG (0.51) CYP2C19SRCPOLBEPHX1EPHX2
SCHEMBL28165654 0.79 CYP2C19 (0.47) CYP2C19SRCPOLBEPHX1P4HTM
SCHEMBL28165655 0.79 CYP2C19 (0.47) CYP2C19SRCPOLBEPHX1P4HTM
SCHEMBL7263509 0.77 FOLH1 (0.48) FOLH1SRCALDH1A1ALOX15TSHR

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-5827868-A Prostaglandin analogs E. R. SQUIBB & SONS, INC. (US) 1998-10-27 US disclosed