SCHEMBL19505768

SCHEMBL19505768

CCCCCC[C@H](CCCCC[C@@H](O)C(N)=O)OC(=O)[C@@H]1CC=CN1C(=O)c1ccc(O)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PNLIP P16233 2/20 0.40
▸ SPHK1 Q9NYA1 9/20 0.34
▸ SPHK2 Q9NRA0 3/20 0.34
▸ HSD17B3 P37058 6/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ DAGLA Q9Y4D2 1/20 0.33
▸ PDCD4 Q53EL6 1/20 0.32

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
SCHEMBL19505770 0.92 FKBP1A (0.36) SPHK1SPHK2CNR1CNR2DAGLA
SCHEMBL19505769 0.89 MGLL (0.35) PNLIPCNR1CNR2DAGLA
SCHEMBL21041357 0.88 PNLIP (0.30) PNLIP
SCHEMBL19505799 0.87 MAPT (0.34) PNLIPCNR1CNR2DAGLAPDCD4
SCHEMBL19505781 0.86 NAAA (0.33) PNLIPCNR1CNR2DAGLAPDCD4
SCHEMBL19505778 0.86 NAAA (0.33) PNLIPCNR1CNR2DAGLAPDCD4
SCHEMBL19505787 0.84 FKBP1A (0.40) —
SCHEMBL19505766 0.83 FKBP1A (0.34) PNLIPCNR1CNR2
SCHEMBL20996806 0.83 FKBP1A (0.34) PNLIPCNR1CNR2
SCHEMBL20996812 0.83 PPARA (0.33) PNLIP

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-2017184558-A1 NOVEL PROMYSALIN ANALOGUES AND METHODS OF USE THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-26 — — WO disclosed
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