SCHEMBL7466483

SCHEMBL7466483

CC(C)OC(=O)N(NC(=O)c1cccc(NC(=N)N)c1)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
ITGB1 P05556 1/20 0.41
ITGAV P06756 1/20 0.41
ITGB5 P18084 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PAX8 Q06710 1/20 0.40
PTGES O14684 1/20 0.39
NR1H4 Q96RI1 3/20 0.39
ALDH1A1 P00352 1/20 0.39
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 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
SCHEMBL7375593 0.92 ALDH1A1 (0.42) SMN1; SMN2RAB9AMAPTITGB3ITGA2B
SCHEMBL7380737 0.91 MAPT (0.42) NPC1SMN1; SMN2RAB9AMAPTHTT
SCHEMBL7382269 0.89 NR1H4 (0.41) NPC1SMN1; SMN2RAB9AMAPTHTT
SCHEMBL7409600 0.89 MAPT (0.42) NPC1SMN1; SMN2RAB9AMAPTHTT
SCHEMBL7377262 0.89 SLC7A5 (0.39) NPC1SMN1; SMN2RAB9AMAPTHTT
SCHEMBL7410551 0.88 ITGB3 (0.41) MAPTITGB3ITGA2BITGB1ITGAV
SCHEMBL7410381 0.88 ITGB3 (0.41) MAPTITGB3ITGA2BITGB1ITGAV
SCHEMBL7380572 0.86 ITGB3 (0.40) NPC1SMN1; SMN2RAB9AITGB3ITGA2B
SCHEMBL7466500 0.85 ITGB3 (0.40) NPC1SMN1; SMN2RAB9AMAPTHTT
SCHEMBL7466505 0.85 ITGB3 (0.40) NPC1SMN1; SMN2RAB9AMAPTHTT

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