SCHEMBL28337010

SCHEMBL28337010

CCCCCc1cccc(OC(=O)CC)c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.62
PPARG P37231 5/20 0.62
ACHE P22303 2/20 0.54
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49

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
SCHEMBL1789805 0.95 PPARA (0.56) PPARAPPARGACHEMTNR1AMTNR1B
SCHEMBL31539531 0.90 CYP4F2 (0.54) PPARAPPARGACHEMTNR1AMTNR1B
SCHEMBL29328712 0.90 PPARA (0.64) PPARAPPARGCNR1CNR2
SCHEMBL28593564 0.89 ACHE (0.58) PPARAPPARGACHEMTNR1AMTNR1B
SCHEMBL11206161 0.88 ACHE (0.51) PPARAPPARGACHEMTNR1AMTNR1B
SCHEMBL29328702 0.88 PPARA (0.63) PPARAPPARGCNR1CNR2
SCHEMBL29328704 0.88 PPARA (0.63) PPARAPPARGCNR1CNR2
SCHEMBL29328706 0.88 PPARA (0.63) PPARAPPARGCNR1CNR2
SCHEMBL28392302 0.88 PPARA (0.63) PPARAPPARGCNR1CNR2
SCHEMBL26483161 0.88 PPARA (0.54) PPARAPPARGACHECNR1CNR2

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-105143170-B For treating the aromatic compounds of pulmonary fibrosis, liver fibrosis, fibrosis of skin and cardiac fibrosis being substituted 普罗米蒂克医药SMT有限公司 2019-11-08 CN disclosed