SCHEMBL7785678

SCHEMBL7785678

CCCNC(=O)Nc1cccc(S(=O)(=O)Nc2cccc([C@H](CC(=O)O)NC(=O)OCC(C)C)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.51
ITGAV P06756 10/20 0.51
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADRB3 P13945 1/20 0.40
GHSR Q92847 2/20 0.40
NAMPT P43490 1/20 0.39
CASR P41180 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
SCHEMBL7785677 1.00 ITGB3 (0.51) ITGB3ITGAVMAPTSMN1; SMN2KDM4E
SCHEMBL24106585 0.93 ITGB3 (0.50) ITGB3ITGAVMAPTSMN1; SMN2KDM4E
SCHEMBL7787965 0.89 ITGB3 (0.53) ITGB3ITGAVMAPTSMN1; SMN2KDM4E
SCHEMBL7787963 0.89 ITGB3 (0.53) ITGB3ITGAVMAPTSMN1; SMN2KDM4E
SCHEMBL24106581 0.88 ITGB3 (0.51) ITGB3ITGAVMAPTSMN1; SMN2KDM4E
SCHEMBL31122201 0.88 ITGB3 (0.51) ITGB3ITGAVMAPTSMN1; SMN2KDM4E
SCHEMBL28605229 0.88 ITGB3 (0.51) ITGB3ITGAVMAPTSMN1; SMN2KDM4E
SCHEMBL7789606 0.86 LMNA (0.43) ITGB3ITGAVMAPTLMNAALOX15
SCHEMBL25132977 0.85 ITGB3 (0.52) ITGB3ITGAVMAPTSMN1; SMN2KDM4E
SCHEMBL25132419 0.85 ITGB3 (0.49) ITGB3ITGAVMAPTSMN1; SMN2KDM4E

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-1147079-A2 BETA-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-24 EP disclosed
WO-2000041469-A2 β-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-07-20 WO disclosed