SCHEMBL7438704

SCHEMBL7438704

COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NCC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 4/20 0.57
PPARG P37231 3/20 0.55
LTA4H P09960 2/20 0.55
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
BCL2 P10415 1/20 0.50
ITGA4 P13612 1/20 0.49
ITGB7 P26010 1/20 0.49
PTPN1 P18031 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
MAOB P27338 1/20 0.47
REN P00797 1/20 0.47
IL1RN P18510 1/20 0.47
ERAP2 Q6P179 1/20 0.47
ERAP1 Q9NZ08 1/20 0.47

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
SCHEMBL7438699 1.00 YAP1 (0.57) YAP1PPARGLTA4HMEN1ALDH1A1
SCHEMBL30823314 0.90 PPARG (0.60) YAP1PPARGLTA4HMEN1ALDH1A1
SCHEMBL27136481 0.90 PPARG (0.60) YAP1PPARGLTA4HMEN1ALDH1A1
SCHEMBL6440329 0.90 ITGA4 (0.58) MEN1ALDH1A1LMNAKMT2AITGA4
SCHEMBL4022466 0.90 ITGA4 (0.58) MEN1ALDH1A1LMNAKMT2AITGA4
SCHEMBL4022463 0.90 ITGA4 (0.58) MEN1ALDH1A1LMNAKMT2AITGA4
SCHEMBL7432421 0.87 ITGA4 (0.50) YAP1PPARGLTA4HALDH1A1LMNA
SCHEMBL7432428 0.87 ITGA4 (0.50) YAP1PPARGLTA4HALDH1A1LMNA
SCHEMBL6161729 0.84 BCL2 (0.64) YAP1PPARGLTA4HMEN1ALDH1A1
SCHEMBL3350988 0.84 BCL2 (0.64) YAP1PPARGLTA4HMEN1ALDH1A1

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-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed