SCHEMBL2855837

SCHEMBL2855837

COC(=O)[C@H](C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccccc2OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.39
ITGB7 P26010 2/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
GPR88 Q9GZN0 1/20 0.38
PTPN1 P18031 2/20 0.38
PTPRC P08575 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 2/20 0.37
SLC13A5 Q86YT5 1/20 0.37
MME P08473 1/20 0.37
MMEL1 Q495T6 1/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37

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
SCHEMBL2855207 0.87 ITGA4 (0.37) ITGA4ITGB7BRD4CREBBPNR1H4
SCHEMBL7446003 0.86 KMT2A (0.41) ITGA4ITGB7BRD4PAX8MEN1
SCHEMBL7308442 0.86 KMT2A (0.41) ITGA4ITGB7BRD4PAX8MEN1
SCHEMBL2854555 0.84 PPARG (0.45) PPARGPPARABRD4CREBBPHSP90AA1
SCHEMBL8380101 0.83 KMT2A (0.45) ITGA4ITGB7MEN1ALDH1A1KMT2A
SCHEMBL2861381 0.81 XBP1 (0.37) PAX8MEN1KMT2ACTSSCTSK
SCHEMBL8909415 0.80 KMT2A (0.40) MEN1KMT2A
SCHEMBL2855171 0.79 XDH (0.39) PAX8KDM4EMEN1ALDH1A1KMT2A
SCHEMBL7479440 0.78 MT-CO2 (0.46) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL7479568 0.78 MT-CO2 (0.46) KDM4EMEN1ALDH1A1KMT2A

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-1346971-B1 Production method for biarylalanine SUMITOMO CHEMICAL CO (JP) 2010-01-20 EP disclosed
EP-1346971-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-09-24 EP disclosed