SCHEMBL25608607

SCHEMBL25608607

CCc1c(C)cc2c(c1C#N)CCC(C)(C)C2

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.37
▸ S1PR1 P21453 2/20 0.32
▸ CES1 P23141 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL29478793 0.70 MAPK1 (0.34) MAPK1CES1
SCHEMBL24373031 0.70 MAPK1 (0.34) MAPK1CES1
SCHEMBL20398744 0.65 CES1 (0.42) S1PR1CES1
SCHEMBL11410997 0.63 KDM4E (0.37) MAPK1L3MBTL1
SCHEMBL1338636 0.61 HTT (0.65) L3MBTL1
SCHEMBL1338549 0.61 MAPK1 (0.39) MAPK1CES1
SCHEMBL1338489 0.60 MAPK1 (0.34) MAPK1
SCHEMBL23847349 0.59 ALDH1A1 (0.47) L3MBTL1
SCHEMBL21938397 0.58 CYP2A6 (0.43) L3MBTL1
SCHEMBL31647935 0.58 KDM4E (0.62) MAPK1L3MBTL1

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-4006018-B1 METHOD FOR SYNTHESIZING 2-((6-(HYDROXYMETHYL)CHROMENE-5-YL)OXY)-1-PHENYLETHANONE DERIVATIVE GLACEUM INC (KR) 2023-06-07 — — EP disclosed
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