SCHEMBL8098088

SCHEMBL8098088

CC(C)C12CCC(c3ccc(C(=O)NCCCCNC(=N)N)cc3)(CC1)CC2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
LMNA P02545 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38
SMYD3 Q9H7B4 2/20 0.38
TSHR P16473 1/20 0.38
CA2 P00918 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NAAA Q02083 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36

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
SCHEMBL8098085 0.87 SPHK1 (0.33) ITGB3ITGA2BLMNANPC1RAB9A
SCHEMBL8090163 0.85 MAPK1 (0.41) ITGB3ITGA2BLMNANPC1RAB9A
SCHEMBL8083451 0.84 MAPK1 (0.40) ITGB3ITGA2BNPC1RAB9AALDH1A1
SCHEMBL8090137 0.84 NPC1 (0.45) ITGB3ITGA2BNPC1RAB9AALDH1A1
SCHEMBL8095245 0.83 MAPK1 (0.43) ITGB3ITGA2BNPC1RAB9AALDH1A1
SCHEMBL8098001 0.83 CXCR4 (0.43) ITGB3ITGA2BNPC1RAB9AALDH1A1
SCHEMBL8083517 0.83 ITGB3 (0.33) ITGB3ITGA2BLMNAMAPK1
SCHEMBL8083520 0.82 ITGB3 (0.33) ITGB3ITGA2B
SCHEMBL8091500 0.82 NPC1 (0.45) NPC1RAB9AALDH1A1L3MBTL1HPGD
SCHEMBL8095242 0.73 SPHK1 (0.32) ITGB3ITGA2BMAPK1F10

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