SCHEMBL30681682

SCHEMBL30681682

COc1cc2c(cc1-c1ccc(F)c(C(=O)O)c1)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1cc(Cl)cc(Cl)c1)CO2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 6/20 0.37
▸ CPT2 P23786 8/20 0.32
▸ CPT1A P50416 8/20 0.32
▸ CPT1B Q92523 8/20 0.32
▸ ROCK2 O75116 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ FABP4 P15090 2/20 0.31
▸ FABP5 Q01469 2/20 0.31
▸ FABP3 P05413 1/20 0.31
▸ PTGS2 P35354 1/20 0.31

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
SCHEMBL17382131 1.00 NR1H4 (0.37) NR1H4CPT2CPT1ACPT1BROCK2
SCHEMBL30681676 0.88 NR1H4 (0.42) NR1H4FABP4
SCHEMBL17382116 0.88 NR1H4 (0.42) NR1H4FABP4
SCHEMBL17381576 0.88 NR1H4 (0.40) NR1H4CPT2CPT1ACPT1B
SCHEMBL30886104 0.88 NR1H4 (0.36) NR1H4
SCHEMBL17381590 0.88 NR1H4 (0.38) NR1H4
SCHEMBL17381574 0.87 NR1H4 (0.36) NR1H4
SCHEMBL17381591 0.86 NR1H4 (0.34) NR1H4
SCHEMBL30886010 0.86 NR1H4 (0.36) NR1H4
SCHEMBL30681679 0.85 ROCK2 (0.39) NR1H4ROCK2ROCK1

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
EP-3157929-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF ARES TRADING SA (CH) 2023-12-13 — — EP disclosed
Send feedback