SCHEMBL19203551

SCHEMBL19203551

CC(=O)C(CCCNC(N)=O)NC(=O)CNC(=S)NCCCCN1C(=O)CC(C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 8/20 0.37
▸ SIRT5 Q9NXA8 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ OPRL1 P41146 5/20 0.33
▸ ALB P02768 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
SCHEMBL21322942 0.88 FOLH1 (0.39) FOLH1SMN1; SMN2OPRL1ALB
SCHEMBL19203411 0.88 FOLH1 (0.39) FOLH1SMN1; SMN2OPRL1ALB
SCHEMBL19171172 0.87 SIRT5 (0.38) SIRT5SMN1; SMN2OPRL1
SCHEMBL21322508 0.83 SIRT5 (0.37) SIRT5SMN1; SMN2ALB
SCHEMBL21322478 0.80 HDAC3 (0.35) FOLH1OPRL1
SCHEMBL2734890 0.80 HDAC3 (0.35) FOLH1OPRL1
SCHEMBL13113544 0.80 HDAC3 (0.35) FOLH1OPRL1
SCHEMBL19203408 0.76 SIRT5 (0.41) SIRT5SMN1; SMN2
SCHEMBL15626074 0.75 FOLH1 (0.35) FOLH1SMN1; SMN2OPRL1
SCHEMBL278813 0.75 FOLH1 (0.35) FOLH1SMN1; SMN2OPRL1

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-2017132173-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. (US) 2017-08-03 — — WO disclosed
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