SCHEMBL7100733

SCHEMBL7100733

CC1(C)[C@@H](C(=O)N[C@@H](Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)O)CC[C@@]1(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ITGA4 P13612 12/20 0.46
YAP1 P46937 1/20 0.45
ADAM17 P78536 1/20 0.45
ITGB1 P05556 2/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
GPR34 Q9UPC5 1/20 0.43
FFAR1 O14842 3/20 0.43

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
SCHEMBL7100731 1.00 MEN1 (0.48) MEN1KMT2ANPSR1ITGA4YAP1
SCHEMBL7101959 0.88 PPARG (0.54) MEN1KMT2ANPSR1YAP1GPR34
SCHEMBL7101955 0.88 PPARG (0.54) MEN1KMT2ANPSR1YAP1GPR34
SCHEMBL7103977 0.88 MEN1 (0.48) MEN1KMT2ANPSR1ITGA4YAP1
SCHEMBL7098305 0.88 ITGA4 (0.61) ITGA4ITGB1
SCHEMBL7098304 0.88 ITGA4 (0.61) ITGA4ITGB1
SCHEMBL7242947 0.88 ITGA4 (0.61) ITGA4ITGB1
SCHEMBL7102228 0.88 ITGA4 (0.61) ITGA4ITGB1
SCHEMBL7102227 0.88 ITGA4 (0.61) ITGA4ITGB1
SCHEMBL7098069 0.88 ITGA4 (0.61) ITGA4ITGB1

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
EP-0991619-B1 INHIBITORS OF ALPHA 4-BETA 1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2003-09-10 EP claimed