SCHEMBL2901592

SCHEMBL2901592

CC(C)c1ccc(C[C@H](NN(C(=O)OCc2ccccc2)[C@@H](Cc2ccccc2)C(=O)O)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
PPARG P37231 2/20 0.46
ABCB1 P08183 2/20 0.40
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
ITGB3 P05106 6/20 0.40
ITGA2B P08514 6/20 0.40
CTSL P07711 3/20 0.39
CTSB P07858 3/20 0.39
CTSS P25774 3/20 0.39
CTSK P43235 3/20 0.39

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
SCHEMBL2386937 0.94 MEN1 (0.44) MEN1LMNAKMT2APPARGABCB1
SCHEMBL2384481 0.92 MEN1 (0.43) MEN1LMNAKMT2APPARGABCB1
SCHEMBL5488638 0.91 CTRB1 (0.45) PPARGABCB1MMEITGB3ITGA2B
SCHEMBL2387351 0.85 ABCB1 (0.47) PPARGABCB1CTSLCTSBCTSS
SCHEMBL2388325 0.85 ABCB1 (0.41) MEN1KMT2AABCB1MMEACE
SCHEMBL2388052 0.83 CTSL (0.46) PPARGABCB1MMEACECTSL
SCHEMBL2385988 0.83 MMP8 (0.44) LMNAPPARGABCB1CTSLCTSB
SCHEMBL2386438 0.83 TP53 (0.39) MEN1KMT2AABCB1MMEACE
SCHEMBL2386981 0.83 ABCB1 (0.44) PPARGABCB1MMEACECPA1
SCHEMBL2386712 0.83 ATM (0.49) PPARGABCB1ITGB3ITGA2BCTSL

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-1980622-B1 METHOD FOR PRODUCTION OF AN OPTICALLY ACTIVE BIPHENYLALANINE COMPOUND OR SALT OR ESTER THEREOF SUMITOMO CHEMICAL CO (JP) 2010-08-18 EP disclosed
EP-1980622-A1 METHOD FOR PRODUCTION OF OPTICALLY ACTIVE BIPHENYLALANINE COMPOUND OR SALT OR ESTER THEREOF Sumitomo Chemical Company, Limited (JP) 2008-10-15 EP disclosed