SCHEMBL7501387

SCHEMBL7501387

C[C@@H](C(=O)O)N1Cc2ccccc2C[C@H](N2C(=O)c3ccccc3C2=O)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
XIAP P98170 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SDCBP O00560 2/20 0.42
SDC2 P34741 2/20 0.42
THRB P10828 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 1/20 0.41
MME P08473 1/20 0.40
TP53 P04637 2/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL8212856 1.00 ALOX15 (0.43) ALOX15KDM4EALDH1A1TSHRXIAP
SCHEMBL7441321 0.85 THRB (0.40) ALOX15KDM4EALDH1A1TSHRXIAP
SCHEMBL7340893 0.79 ALDH1A1 (0.44) ALDH1A1TSHRXIAPTDP1L3MBTL1
SCHEMBL7442234 0.78 OPRM1 (0.51) ALOX15KDM4EALDH1A1TSHRXIAP
SCHEMBL7357061 0.76 ACE (0.49) ALOX15KDM4ETSHRSMN1; SMN2MAPT
SCHEMBL3865826 0.76 ACE (0.49) ALOX15KDM4ETSHRSMN1; SMN2MAPT
SCHEMBL311675 0.76 ALOX15 (0.66) ALOX15KDM4EALDH1A1TSHRXIAP
SCHEMBL2013546 0.76 ALOX15 (0.66) ALOX15KDM4EALDH1A1TSHRXIAP
SCHEMBL30856522 0.76 ALOX15 (0.66) ALOX15KDM4EALDH1A1TSHRXIAP
SCHEMBL7449096 0.71 HRH4 (0.40) ALOX15KDM4EALDH1A1TSHRXIAP

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
WO-1994026719-A1 MERCAPTO-AMIDE DERIVATIVES USEFUL AS NEUTRAL ENDOPEPTIDASE AND ACE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed