SCHEMBL2907923

SCHEMBL2907923

COc1ccc(C)cc1C[C@H](NN(C(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 5/20 0.41
FPR2 P25090 1/20 0.40
MEN1 O00255 3/20 0.40
CAPN1 P07384 3/20 0.39
ALOX15 P16050 1/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
ITGA4 P13612 2/20 0.39
ITGB7 P26010 2/20 0.39
ABCB1 P08183 2/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
TACR1 P25103 1/20 0.38
LPAR1 Q92633 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
SCHEMBL2384483 0.94 KMT2A (0.41) ALDH1A1GAAKMT2AFPR2MEN1
SCHEMBL2387173 0.84 ITGA4 (0.48) ALDH1A1GAAKMT2AFPR2ALOX15
SCHEMBL2386217 0.84 ALDH1A1 (0.48) ALDH1A1GAAKMT2AFPR2MEN1
SCHEMBL2385510 0.84 ALDH1A1 (0.46) ALDH1A1GAAKMT2AFPR2MEN1
SCHEMBL2386831 0.83 ITGA4 (0.47) ALDH1A1GAAKMT2AFPR2MEN1
SCHEMBL5488638 0.82 CTRB1 (0.45) ALDH1A1ALOX15ABCB1TACR1
SCHEMBL2386712 0.81 ATM (0.49) ALDH1A1ALOX15POLBITGA4ITGB7
SCHEMBL2385489 0.81 FPR2 (0.51) ALDH1A1KMT2AFPR2MEN1CAPN1
SCHEMBL2388229 0.81 POLB (0.51) ALDH1A1ALOX15POLBABCB1TACR1
SCHEMBL2386926 0.80 ALDH1A1 (0.45) ALDH1A1FPR2CAPN1ALOX15POLB

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