SCHEMBL21322508

SCHEMBL21322508

CC(=O)C(CCCNC(N)=O)NC(=O)CNC(=S)NCCCCN1C(=O)C=CC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 3/20 0.37
▸ C3AR1 Q16581 1/20 0.35
▸ OPRM1 P35372 2/20 0.35
▸ OPRD1 P41143 2/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ KLK7 P49862 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MGLL Q99685 4/20 0.32
▸ FAAH O00519 3/20 0.32
▸ ALB P02768 1/20 0.32
▸ PTGS1 P23219 7/20 0.32
▸ PTGS2 P35354 7/20 0.32
▸ HSP90AA1 P07900 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 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
SCHEMBL19203573 0.87 PTGS1 (0.40) C3AR1OPRM1OPRD1OPRK1CTDSP1
SCHEMBL21322509 0.85 SIRT5 (0.39) SIRT5C3AR1OPRM1OPRD1OPRK1
SCHEMBL19203551 0.83 FOLH1 (0.37) SIRT5ALBSMN1; SMN2
SCHEMBL22109548 0.83 C3AR1 (0.39) SIRT5C3AR1CTDSP1MEN1KLK7
SCHEMBL19203408 0.81 SIRT5 (0.41) SIRT5C3AR1CTDSP1ALDH1A1HPGD
SCHEMBL18937746 0.79 NPY5R (0.40) SIRT5C3AR1CTDSP1PTGS1PTGS2
SCHEMBL17722903 0.79 NPY5R (0.40) SIRT5C3AR1CTDSP1PTGS1PTGS2
SCHEMBL17722904 0.78 NMT1 (0.45) PTGS1PTGS2
SCHEMBL24860409 0.78 C3AR1 (0.38) SIRT5C3AR1CTDSP1MEN1KLK7
SCHEMBL19170696 0.78 SIRT5 (0.35) SIRT5C3AR1OPRM1OPRD1OPRK1

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-3273998-B1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMA (US) 2019-09-04 — — EP disclosed
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