SCHEMBL7098083

SCHEMBL7098083

CC1(C)[C@@H](C(=O)N[C@@H](Cc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)C(=O)O)CC[C@@]1(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.46
KDM4E B2RXH2 2/20 0.46
CCR2 P41597 6/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ITGB1 P05556 7/20 0.44
ITGA4 P13612 7/20 0.44
CCR5 P51681 1/20 0.44
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL7098080 1.00 FPR2 (0.46) FPR2KDM4ECCR2MEN1KMT2A
SCHEMBL7105446 0.93 MEN1 (0.46) KDM4ECCR2MEN1KMT2ANPSR1
SCHEMBL7105449 0.93 MEN1 (0.46) KDM4ECCR2MEN1KMT2ANPSR1
SCHEMBL7102672 0.90 MEN1 (0.47) MEN1KMT2ANPSR1ITGB1ITGA4
SCHEMBL7102676 0.90 MEN1 (0.47) MEN1KMT2ANPSR1ITGB1ITGA4
SCHEMBL7098216 0.89 ITGB1 (0.47) KDM4ECCR2MEN1KMT2ANPSR1
SCHEMBL7098218 0.89 ITGB1 (0.47) KDM4ECCR2MEN1KMT2ANPSR1
SCHEMBL7100747 0.87 ITGA4 (0.51) MEN1KMT2ANPSR1ITGB1ITGA4
SCHEMBL7100744 0.87 ITGA4 (0.51) MEN1KMT2ANPSR1ITGB1ITGA4
SCHEMBL7102565 0.87 ITGB1 (0.48) MEN1KMT2ANPSR1ITGB1ITGA4

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