SCHEMBL21766543

SCHEMBL21766543

CCCCCCCC/C=C\CCCCCCCCNC(=O)Nc1ccc(Cc2ccc(NC(=O)NCCCCCCCC/C=C\CCCCCCCC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.62
ALDH1A1 P00352 1/20 0.62
HTT P42858 1/20 0.62
S1PR1 P21453 1/20 0.56
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
GHSR Q92847 2/20 0.55
EPHX2 P34913 6/20 0.53
PSMB11 A5LHX3 1/20 0.52
PSMA7 O14818 1/20 0.52
PSMB1 P20618 1/20 0.52
PSMA1 P25786 1/20 0.52
PSMA2 P25787 1/20 0.52
PSMA3 P25788 1/20 0.52
PSMA4 P25789 1/20 0.52
PSMB8 P28062 1/20 0.52
PSMB9 P28065 1/20 0.52
PSMA5 P28066 1/20 0.52

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
SCHEMBL23479955 0.92 LMNA (0.66) EPHX1ALDH1A1HTTS1PR1LMNA
SCHEMBL17189466 0.92 EPHX1 (0.72) EPHX1ALDH1A1HTTS1PR1LMNA
SCHEMBL15358666 0.92 EPHX1 (0.72) EPHX1ALDH1A1HTTS1PR1LMNA
SCHEMBL17189471 0.92 EPHX1 (0.72) EPHX1ALDH1A1HTTS1PR1LMNA
SCHEMBL468415 0.92 EPHX1 (0.72) EPHX1ALDH1A1HTTS1PR1LMNA
SCHEMBL822126 0.92 EPHX1 (0.72) EPHX1ALDH1A1HTTS1PR1LMNA
SCHEMBL8756551 0.88 PSMB11 (0.67) EPHX1ALDH1A1HTTMAPTHDAC1
SCHEMBL8756549 0.88 PSMB11 (0.67) EPHX1ALDH1A1HTTMAPTHDAC1
SCHEMBL23479958 0.88 EPHX1 (0.63) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL10599703 0.86 MAPT (0.67) EPHX1ALDH1A1HTTS1PR1LMNA

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-2020039138-A1 THERMOREVERSIBLE BITUMINOUS COMPOSITION TOTAL MARKETING SERVICES (FR) 2020-02-27 WO disclosed