SCHEMBL371384

SCHEMBL371384

CC(C)OC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)c1c(N)cccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 1/20 0.44
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
CA2 P00918 1/20 0.40
ITGB1 P05556 6/20 0.40
ITGA4 P13612 5/20 0.40
ITGB7 P26010 2/20 0.40
CYP26A1 O43174 2/20 0.40
PPID Q08752 1/20 0.40
GAA P10253 1/20 0.40
ITGA2 P17301 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 2/20 0.39
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA2B P08514 1/20 0.38
ITGB5 P18084 1/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL28032876 0.88 ITGB1 (0.53) ITGB1ITGA4ITGB7ITGA2
SCHEMBL370312 0.88 ITGB1 (0.53) ITGB1ITGA4ITGB7ITGA2
SCHEMBL6639159 0.78 L3MBTL1 (0.60) LNPEPRAB9AL3MBTL1ITGB1ITGA4
SCHEMBL18067798 0.77 ITGB1 (0.56) L3MBTL1ITGB1ITGA4ITGB7ITGA2
SCHEMBL16469413 0.77 CTSS (0.49) ITGB1ITGB3ITGAVITGA2BITGB5
SCHEMBL19235542 0.77 CTSS (0.49) ITGB1ITGB3ITGAVITGA2BITGB5
SCHEMBL295783 0.77 ITGB1 (0.53) LNPEPITGB1ITGA4ITGB7ITGA2
SCHEMBL298056 0.77 PSMB5 (0.59) L3MBTL1ITGB1ITGA4ITGB7ITGA2
SCHEMBL1240417 0.77 ITGB1 (0.53) LNPEPITGB1ITGA4ITGB7ITGA2
SCHEMBL7391224 0.77 LNPEP (0.50) LNPEPRAB9AL3MBTL1CA2GAA

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-2103601-B1 PROCESS FOR PRODUCTION OF PHENYLALANINE DERIVATIVES HAVING QUINAZOLINEDIONE SKELETONS AND INTERMEDIATES FOR THE PRODUCTION AJINOMOTO KK (JP) 2012-03-14 EP disclosed