SCHEMBL14501720

SCHEMBL14501720

Cc1cccc(C(=O)NCC(=O)NC(CC(=O)O)c2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 9/20 0.72
ITGB3 P05106 4/20 0.56
ITGB1 P05556 3/20 0.56
ITGAV P06756 3/20 0.56
ITGA5 P08648 3/20 0.56
ITGB5 P18084 1/20 0.56
ITGB6 P18564 1/20 0.56
ITGB8 P26012 1/20 0.56
ITGA8 P53708 1/20 0.56
SLC6A9 P48067 2/20 0.56
SLC6A5 Q9Y345 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ATM Q13315 1/20 0.55
MDM2 Q00987 2/20 0.51
ITGA2B P08514 1/20 0.51
MDM4 O15151 1/20 0.51
TAOK1 Q7L7X3 1/20 0.50
TAOK3 Q9H2K8 1/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL14532475 0.86 ITGB3 (0.53) GPR139ITGB3ITGB1ITGAVITGA5
SCHEMBL14501721 0.82 ITGB3 (0.51) GPR139ITGB3ITGB1ITGAVITGA5
SCHEMBL242674 0.80 ITGB3 (0.55) GPR139ITGB3ITGB1ITGAVITGA5
Trifluoroacetic Acid SCHEMBL3835281 0.80 ITGB3 (0.54) GPR139ITGB3ITGB1ITGAVITGA5
SCHEMBL6778499 0.80 ITGB3 (0.51) GPR139ITGB3ITGB1ITGAVITGA5
SCHEMBL6782755 0.79 ITGB3 (0.51) GPR139ITGB3ITGB1ITGAVITGA5
SCHEMBL6778398 0.79 ITGB3 (0.59) GPR139ITGB3ITGB1ITGAVITGA5
SCHEMBL1285808 0.77 NPC1 (0.63) GPR139MEN1KMT2AATMNPC1
SCHEMBL29417854 0.77 NPC1 (0.63) GPR139MEN1KMT2AATMNPC1
SCHEMBL3835347 0.77 GPR139 (0.52) GPR139ITGB3ITGB1ITGAVITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220824-B1 Integrin-mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed