SCHEMBL20725788

SCHEMBL20725788

CCC(C)COCCOCCCC(=O)N=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ MAPT P10636 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
SCHEMBL26034603 0.79 TSHR (0.45) CYP3A4MAPT
SCHEMBL20725811 0.79 TSHR (0.45) CYP3A4MAPT
SCHEMBL26034440 0.79 CYP3A4 (0.53) CYP1A2CYP3A4CYP2C19
SCHEMBL17921627 0.79 TSHR (0.45) CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL17921628 0.79 TSHR (0.45) CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL26034654 0.78 EPHX2 (0.37) —
SCHEMBL26034669 0.76 MEN1 (0.52) MAPT
SCHEMBL13604089 0.74 HSD17B10 (0.40) CYP3A4MAPT
SCHEMBL12743732 0.73 TSHR (0.44) CYP3A4MAPT
SCHEMBL17833095 0.73 MAPT (0.33) MAPT

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-3441382-A1 OXA ACID COMPOUND Moresco Corporation (JP) 2019-02-13 — — EP disclosed
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