SCHEMBL18901653

SCHEMBL18901653

CCCOCC(=O)N1CCCC1C(O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 10/20 0.42
▸ FAP Q12884 3/20 0.42
▸ DPP7 Q9UHL4 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.35
▸ IDH1 O75874 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MVD P53602 2/20 0.32
▸ DPP8 Q6V1X1 2/20 0.32
▸ DPP9 Q86TI2 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ACE P12821 1/20 0.31
▸ ACE2 Q9BYF1 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
SCHEMBL18901477 0.78 MVD (0.41) ALDH1A1MVDL3MBTL1ACEACE2
SCHEMBL15024713 0.73 DPP4 (0.54) DPP4FAPDPP7DPP8DPP9
SCHEMBL15024857 0.70 ACE (0.49) DPP4FAPDPP7KDM4EALOX15
SCHEMBL7019466 0.70 ALDH1A1 (0.40) DPP4ALDH1A1KDM4EL3MBTL1
SCHEMBL22139321 0.69 HSD17B10 (0.49) ALDH1A1
SCHEMBL20256229 0.69 HSD17B10 (0.49) ALDH1A1
SCHEMBL25581265 0.68 ALDH1A1 (0.42) ALDH1A1L3MBTL1
SCHEMBL23267598 0.67 ALDH1A1 (0.53) ALDH1A1KDM4EL3MBTL1RAB9A
SCHEMBL12247951 0.67 RAB9A (0.64) DPP4FAPDPP7ALDH1A1DPP8
SCHEMBL14188268 0.67 RAB9A (0.64) DPP4FAPDPP7ALDH1A1DPP8

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-2328865-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 — — EP disclosed
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