SCHEMBL21322629

SCHEMBL21322629

CC(C)C(=O)C(CCCNC(N)=O)NC(=O)CNC(=O)CCCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.31
▸ CTDSP1 Q9GZU7 1/20 0.31
▸ ALB P02768 1/20 0.31
▸ NPBWR1 P48145 1/20 0.30

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
SCHEMBL19170915 0.87 FURIN (0.35) C3AR1POLB
SCHEMBL21322625 0.84 C3AR1 (0.32) C3AR1POLB
SCHEMBL18122899 0.80 — —
SCHEMBL19170914 0.80 FURIN (0.35) POLBALB
SCHEMBL21534490 0.78 FURIN (0.34) POLB
SCHEMBL22767956 0.78 FURIN (0.34) POLB
SCHEMBL24336901 0.75 LMNA (0.35) POLBHPGDHTTSMN1; SMN2
SCHEMBL25488906 0.75 LMNA (0.35) POLBHPGDHTTSMN1; SMN2
SCHEMBL21534501 0.74 SIRT5 (0.33) —
SCHEMBL19203577 0.74 — —

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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