SCHEMBL9413682

SCHEMBL9413682

Cc1cccc(C(CC(=O)OC(C)(C)C)C2CCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.39
▸ FFAR1 O14842 3/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37

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
SCHEMBL9413683 0.85 MEN1 (0.40) GPR119FFAR1NPC1RAB9AL3MBTL1
SCHEMBL9152577 0.82 FFAR1 (0.51) FFAR1NPC1RAB9AMEN1KMT2A
SCHEMBL9153434 0.81 NPC1 (0.42) FFAR1NPC1RAB9AMEN1KMT2A
SCHEMBL18501542 0.81 FFAR1 (0.43) FFAR1NPC1RAB9AKMT2A
SCHEMBL18501544 0.81 FFAR1 (0.43) FFAR1NPC1RAB9AKMT2A
SCHEMBL25152914 0.80 FFAR1 (0.52) GPR119FFAR1L3MBTL1MEN1KMT2A
SCHEMBL9413681 0.77 BRD4 (0.44) MEN1KMT2A
SCHEMBL9413697 0.76 SLC6A2 (0.41) NPC1RAB9AMEN1KMT2A
SCHEMBL24893919 0.76 FFAR1 (0.36) FFAR1RAB9AMEN1KMT2A
SCHEMBL29743257 0.75 SLC6A3 (0.39) NPC1RAB9AL3MBTL1MEN1KMT2A

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-0578002-A1 Imidazolyl substituted phenylpropionic and cinnamic acid derivatives BAYER AG (DE) 1994-01-12 — — EP disclosed
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