SCHEMBL8090163

SCHEMBL8090163

N=C(N)NCCCCNC(=O)c1ccc(C23CCC(O)(CC2)CC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.38
CA2 P00918 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
F10 P00742 1/20 0.37
CXCR4 P61073 1/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
CCR1 P32246 1/20 0.37

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
SCHEMBL8083451 0.89 MAPK1 (0.40) MAPK1NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL8095245 0.88 MAPK1 (0.43) MAPK1NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL8098001 0.87 CXCR4 (0.43) MAPK1NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL8095265 0.87 SMYD3 (0.48) MAPK1NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL8090161 0.86 SPHK1 (0.33) F10CCR1
SCHEMBL8095316 0.85 SMN1; SMN2 (0.43) POLBLMNASMN1; SMN2F10CCR1
SCHEMBL8098088 0.85 ITGB3 (0.41) MAPK1NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL8090137 0.85 NPC1 (0.45) MAPK1NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL8091500 0.83 NPC1 (0.45) MAPK1NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL8098110 0.82 F2 (0.42) F10ITGB3ITGA2B

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 4 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 claimed
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 claimed
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