SCHEMBL21087342

SCHEMBL21087342

Cc1ccc(-c2cc(Cl)cc3c2OC(C)(C)C3)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 10/20 0.55
HTR2A P28223 1/20 0.45
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CTSA P10619 1/20 0.36
IDO1 P14902 1/20 0.36
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
EZH2 Q15910 1/20 0.32

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
SCHEMBL18768202 0.76 HTR2A (0.52) FFAR4HTR2APKMNPSR1
SCHEMBL659978 0.74 LMNA (0.34) FFAR4PKMNPSR1CTSAIDO1
SCHEMBL657523 0.72 HTR2A (0.33) FFAR4HTR2AIDO1
SCHEMBL19307517 0.72 FFAR4 (1.00) FFAR4
SCHEMBL17593060 0.72 FFAR4 (1.00) FFAR4
SCHEMBL20032739 0.72 FFAR4 (0.85) FFAR4HTR2A
SCHEMBL11253181 0.72 FFAR4 (0.33) FFAR4HTR2A
SCHEMBL19294276 0.71 FFAR4 (0.56) FFAR4HTR2APKMNPSR1CTSA
SCHEMBL4750485 0.71 HTR2A (0.51) FFAR4HTR2APKMNPSR1
SCHEMBL1005341 0.71 HTR2A (0.51) FFAR4HTR2APKMNPSR1

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-3191445-B1 CYCLOBUTANE CONTAINING CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-06-12 EP disclosed