SCHEMBL31028153

SCHEMBL31028153

O=C(O)c1ccc(CNC(=O)c2cc(-c3cn[nH]c3)ccc2Oc2ccc(F)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 5/20 0.71
▸ PTGER2 P43116 2/20 0.71
▸ ROCK2 O75116 9/20 0.51
▸ ROCK1 Q13464 9/20 0.51
▸ LRRK2 Q5S007 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ PPARG P37231 1/20 0.46
▸ PPARD Q03181 1/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ SCN9A Q15858 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPK14 Q16539 1/20 0.45

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
SCHEMBL22319375 1.00 PTGER4 (0.71) PTGER4PTGER2ROCK2ROCK1LRRK2
SCHEMBL22319363 0.91 PTGER4 (0.58) PTGER4PTGER2ROCK2ROCK1LRRK2
SCHEMBL31028174 0.89 PTGER4 (0.85) PTGER4PTGER2PPARGPPARDPPARA
SCHEMBL22319379 0.89 PTGER4 (0.85) PTGER4PTGER2PPARGPPARDPPARA
SCHEMBL22319376 0.87 PTGER4 (0.74) PTGER4PTGER2MAPTTHRBPPARG
SCHEMBL31028151 0.87 PTGER4 (0.74) PTGER4PTGER2MAPTTHRBPPARG
SCHEMBL22319351 0.86 PTGER4 (0.80) PTGER4PTGER2MAPTPPARGPPARD
SCHEMBL22319364 0.86 PTGER4 (0.80) PTGER4PTGER2PPARGPPARDPPARA
SCHEMBL22319348 0.86 PTGER4 (0.76) PTGER4PTGER2ROCK2ROCK1PPARG
SCHEMBL31028149 0.86 PTGER4 (0.76) PTGER4PTGER2ROCK2ROCK1PPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113646299-B Novel N-benzyl-2-phenoxybenzamide derivatives as prostaglandin E2 (PGE 2) receptor modulators 梅迪比奥法尔玛公司 2024-07-26 — — CN claimed
CN-113646299-B Novel N-benzyl-2-phenoxybenzamide derivatives as prostaglandin E2 (PGE 2) receptor modulators 梅迪比奥法尔玛公司 2024-07-26 — — CN disclosed
Send feedback