SCHEMBL7380109

SCHEMBL7380109

CCc1c(CCC(=O)O)cc(C)c(CCNC(=O)c2cccc(NC(=N)N)c2)c1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ITGB3 P05106 4/20 0.40
ITGA2B P08514 4/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
ITGAV P06756 2/20 0.38
AURKA O14965 1/20 0.38
PAX8 Q06710 1/20 0.37
BCHE P06276 1/20 0.36
KDM1A O60341 1/20 0.36
GCGR P47871 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
SCHEMBL7856497 0.81 MAPT (0.50) LMNAITGB3ITGA2BSMN1; SMN2KCNK3
SCHEMBL8500073 0.79 MAPT (0.49) LMNAITGB3ITGA2BSMN1; SMN2ITGAV
SCHEMBL7379804 0.78 ITGB3 (0.55) LMNANPC1RAB9AITGB3ITGA2B
SCHEMBL8500653 0.77 ITGB3 (0.60) LMNANPC1RAB9AITGB3ITGA2B
SCHEMBL7378623 0.76 SMN1; SMN2 (0.58) NPC1RAB9AITGB3ITGA2BSMN1; SMN2
SCHEMBL7380108 0.76 LMNA (0.46) LMNANPC1RAB9AITGB3ITGA2B
SCHEMBL7377637 0.75 MAPT (0.55) LMNAITGB3ITGA2BSMN1; SMN2BCHE
SCHEMBL7339409 0.73 ITGB3 (0.41) ITGB3ITGA2BGAASMN1; SMN2KCNK3
SCHEMBL7377063 0.73 ITGB3 (0.47) LMNARAB9AITGB3ITGA2BSMN1; SMN2
SCHEMBL7380122 0.73 ITGB3 (0.56) NPC1ITGB3ITGA2BSMN1; SMN2KCNK3

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-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP claimed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed