SCHEMBL27410213

SCHEMBL27410213

CCc1ccc(-c2cc(F)c(-c3ccc(OCC4CCC4)s3)c(F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 1/20 0.34
▸ FFAR4 Q5NUL3 4/20 0.33
▸ PARP10 Q53GL7 2/20 0.33
▸ PARP15 Q460N3 1/20 0.33
▸ KDM1A O60341 1/20 0.32
▸ GRM2 Q14416 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ MCHR1 Q99705 1/20 0.30
▸ GPR119 Q8TDV5 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30

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
SCHEMBL27410211 0.95 EP300 (0.35) EP300FFAR4KDM1AMCHR1GPR119
SCHEMBL24300679 0.89 NPC1 (0.32) FFAR4PARP10PTGS1PTGS2
SCHEMBL24300969 0.88 FEN1 (0.34) EP300FFAR4PARP10PARP15KDM1A
SCHEMBL24301043 0.86 KDM1A (0.36) FFAR4PARP10PARP15KDM1AGRM2
SCHEMBL24300935 0.86 FEN1 (0.34) EP300FFAR4PARP10KDM1APTGS1
SCHEMBL24300933 0.83 FEN1 (0.37) EP300FFAR4KDM1AGPR119
SCHEMBL27410172 0.81 MCHR1 (0.31) MCHR1
SCHEMBL24300882 0.80 FEN1 (0.33) FFAR4PARP10PARP15GRM2
SCHEMBL24300956 0.79 RORC (0.40) —
SCHEMBL27410167 0.79 MCHR1 (0.35) FFAR4MCHR1

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
WO-2024126567-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2024-06-20 — — WO disclosed
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