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SCHEMBL20184659

SCHEMBL20184659

CC(C)C(NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 5/20 0.45
▸ PDF Q9HBH1 1/20 0.40
▸ SSTR3 P32745 1/20 0.38
▸ MAP1LC3B Q9GZQ8 2/20 0.37
▸ SIRT2 Q8IXJ6 6/20 0.35
▸ SIRT1 Q96EB6 5/20 0.35
▸ TGM2 P21980 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SIRT3 Q9NTG7 3/20 0.35

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
SCHEMBL15676509 1.00 FAP (0.45) FAPPDFSSTR3MAP1LC3BSIRT2
SCHEMBL18391329 0.96 FAP (0.44) FAPPDFSSTR3MAP1LC3BSIRT2
SCHEMBL3205376 0.96 FAP (0.44) FAPPDFSSTR3MAP1LC3BSIRT2
SCHEMBL12442419 0.96 FAP (0.44) FAPPDFSSTR3MAP1LC3BSIRT2
SCHEMBL12441917 0.96 FAP (0.44) FAPPDFSSTR3MAP1LC3BSIRT2
SCHEMBL3798438 0.96 FAP (0.44) FAPPDFSSTR3MAP1LC3BSIRT2
SCHEMBL17178689 0.96 FAP (0.44) FAPPDFSSTR3MAP1LC3BSIRT2
SCHEMBL12436525 0.96 FAP (0.44) FAPPDFSSTR3MAP1LC3BSIRT2
Water SCHEMBL30811226 0.95 FAP (0.43) FAPPDFSSTR3MAP1LC3BSIRT2
SCHEMBL28957935 0.95 FAP (0.45) FAPPDFSSTR3MAP1LC3BSIRT2

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-2917195-B9 SPLICEOSTATIN ANALOGS PFIZER (US) 2018-05-30 — — EP disclosed
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