SCHEMBL2331473

SCHEMBL2331473

O=C(O)CCCNC(=O)C1CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.51
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
NAAA Q02083 1/20 0.49
PRMT1 Q99873 1/20 0.47
GNAI3 P08754 1/20 0.45
GNAO1 P09471 1/20 0.45
GNAI1 P63096 1/20 0.45
EPHX1 P07099 1/20 0.45
KMT2A Q03164 1/20 0.44
ADRA1A P35348 1/20 0.44
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
ATM Q13315 1/20 0.41

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
SCHEMBL5902012 0.92 NAAA (0.59) EPHX2ITGB3ITGA2BNAAAPRMT1
SCHEMBL9830399 0.92 PRMT1 (0.59) EPHX2ITGB3ITGA2BNAAAPRMT1
SCHEMBL7739813 0.91 NAAA (0.46) EPHX2ITGB3ITGA2BNAAAPRMT1
SCHEMBL7739816 0.91 NAAA (0.46) EPHX2ITGB3ITGA2BNAAAPRMT1
SCHEMBL6502279 0.90 NAAA (0.62) EPHX2ITGB3ITGA2BNAAAEPHX1
SCHEMBL2678008 0.90 NAAA (0.62) EPHX2ITGB3ITGA2BNAAAEPHX1
SCHEMBL12849676 0.88 EPHX2 (0.46) EPHX2ITGB3ITGA2BNAAAPRMT1
SCHEMBL9831292 0.86 NAAA (0.62) EPHX2ITGB3ITGA2BNAAAPRMT1
SCHEMBL7740129 0.85 NAAA (0.49) EPHX2ITGB3ITGA2BNAAAGNAI3
SCHEMBL7740128 0.85 NAAA (0.49) EPHX2ITGB3ITGA2BNAAAGNAI3

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-2011095218-A1 TEMPLATE-FIXED PEP TIDOMIME TICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 WO disclosed