SCHEMBL8953540

SCHEMBL8953540

COc1cccc(CC(O)C(=O)OC(Cc2cccc(OC)c2)C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.50
PPARG P37231 3/20 0.50
TAAR1 Q96RJ0 2/20 0.49
CYP1A2 P05177 1/20 0.46
CTBP2 P56545 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ACE P12821 1/20 0.44
HIF1A Q16665 1/20 0.43

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
SCHEMBL10909366 0.85 PPARG (0.54) PPARAPPARGTAAR1CYP1A2CTBP2
SCHEMBL1368547 0.84 TAAR1 (0.58) PPARATAAR1CYP1A2CTBP2MEN1
SCHEMBL28019828 0.84 TAAR1 (0.58) PPARATAAR1CYP1A2CTBP2MEN1
SCHEMBL8953537 0.84 TAAR1 (0.58) PPARATAAR1CYP1A2CTBP2MEN1
SCHEMBL7511969 0.84 TAAR1 (0.58) PPARATAAR1CYP1A2CTBP2MEN1
SCHEMBL4594693 0.83 TAAR1 (0.57) TAAR1MEN1KMT2AHIF1A
SCHEMBL28020294 0.83 TAAR1 (0.57) TAAR1MEN1KMT2AHIF1A
SCHEMBL352986 0.81 SRR (0.59) PPARAPPARGACE
SCHEMBL28278431 0.81 SRR (0.59) PPARAPPARGACE
SCHEMBL8953478 0.81 PPARG (0.57) PPARAPPARGACE

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-5514773-A PARASITICIDES, ANTHELMINTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-07 US disclosed