SCHEMBL7103986

SCHEMBL7103986

COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)C1(C)CCC(C(=O)O)C1(C)C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.55
YAP1 P46937 11/20 0.54
CYP3A4 P08684 2/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
LTA4H P09960 1/20 0.49
GAA P10253 2/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL7100727 0.93 PPARG (0.55) PPARGYAP1
SCHEMBL7100726 0.93 PPARG (0.55) PPARGYAP1
SCHEMBL7103992 0.91 YAP1 (0.58) PPARGYAP1CYP3A4TSHRALDH1A1
SCHEMBL7103995 0.91 YAP1 (0.58) PPARGYAP1CYP3A4TSHRALDH1A1
SCHEMBL7102219 0.88 PPARG (0.54) PPARGYAP1CYP3A4TSHRALDH1A1
SCHEMBL7102218 0.88 PPARG (0.54) PPARGYAP1CYP3A4TSHRALDH1A1
SCHEMBL7098791 0.81 ITGA4 (0.60)
SCHEMBL7098794 0.81 ITGA4 (0.60)
SCHEMBL7101959 0.81 PPARG (0.54) PPARGYAP1MEN1KMT2A
SCHEMBL7101955 0.81 PPARG (0.54) PPARGYAP1MEN1KMT2A

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 disclosed