SCHEMBL8083538

SCHEMBL8083538

COC12CCC(c3ccc(C(=O)N[C@@H](CCCCNC(=N)N)B(O)O)cc3)(CC1)CC2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.39
ITGB3 P05106 7/20 0.35
ITGA2B P08514 7/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NPY4R P50391 2/20 0.32
NPY1R P25929 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CTRB1 P17538 2/20 0.31
POLB P06746 1/20 0.31
FOLH1 Q04609 1/20 0.31
F10 P00742 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
SCHEMBL8083536 1.00 F2 (0.39) F2ITGB3ITGA2BCA1CA2
SCHEMBL8095303 0.97 F2 (0.40) F2ITGB3ITGA2BCA1CA2
SCHEMBL8095297 0.97 F2 (0.40) F2ITGB3ITGA2BCA1CA2
SCHEMBL8090103 0.86 F2 (0.36) F2ALDH1A1CTRB1F10
SCHEMBL8090101 0.86 F2 (0.36) F2ALDH1A1CTRB1F10
SCHEMBL8098104 0.85 F2 (0.42) F2ITGB3ITGA2BNPY4RNPY1R
SCHEMBL8098110 0.85 F2 (0.42) F2ITGB3ITGA2BNPY4RNPY1R
SCHEMBL8090137 0.85 NPC1 (0.45) ITGB3ITGA2BCA2NPC1RAB9A
SCHEMBL8090105 0.84 F2 (0.37) F2RAB9AALDH1A1CTRB1POLB
SCHEMBL8090102 0.84 F2 (0.37) F2RAB9AALDH1A1CTRB1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP disclosed