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SCHEMBL10418969

SCHEMBL10418969

C=CCOC(=O)NCc1ccc(OCC(=O)S[C@@H]2[C@@H]([C@@H](C)OC(=O)OCC=C)C(=O)N2C(C(=O)OCC=C)=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 5/20 0.38
▸ FAAH O00519 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ELANE P08246 4/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ FFAR1 O14842 1/20 0.31

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
SCHEMBL10418694 0.94 FAAH (0.42) CASP1FAAHMAPTMGLL
SCHEMBL10418784 0.92 CASP1 (0.37) CASP1FAAHL3MBTL1SMN1; SMN2NPC1
SCHEMBL10420401 0.92 CASP1 (0.37) CASP1FAAHMGLL
SCHEMBL10418968 0.92 FAAH (0.33) CASP1FAAHMGLL
SCHEMBL10419988 0.91 CASP1 (0.33) CASP1FAAHALDH1A1MGLL
SCHEMBL10418783 0.90 CASP1 (0.33) CASP1FAAHMGLL
SCHEMBL10420419 0.89 CASP1 (0.34) CASP1FAAHALDH1A1SMN1; SMN2NPC1
SCHEMBL10418782 0.89 CASP1 (0.33) CASP1FAAHALDH1A1MGLL
SCHEMBL10790502 0.88 FAAH (0.37) CASP1FAAHALDH1A1MAPTMGLL
SCHEMBL10691169 0.88 FAAH (0.37) CASP1FAAHALDH1A1MAPTMGLL

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
US-4965260-A PENICILLINS CIBA-GEIGY CORPORATION (US) 1990-10-23 — — US disclosed