SCHEMBL4327262

SCHEMBL4327262

COC(=O)[C@](C)(Cc1ccc(O)cc1)NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.49
ESR1 P03372 5/20 0.46
ESR2 Q92731 4/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
THPO P40225 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL27841555 0.86 BLM (0.47) BLMESR1ESR2MEN1TSHR
SCHEMBL4328760 0.85 BLM (0.57) BLMESR1ESR2MEN1TSHR
SCHEMBL14477215 0.85 PTPRB (0.47) BLMESR1ESR2MEN1TSHR
SCHEMBL17151908 0.85 PTPRB (0.47) BLMESR1ESR2MEN1TSHR
SCHEMBL539520 0.82 MEN1 (0.56) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL539519 0.82 MEN1 (0.56) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL27500342 0.80 ESR1 (0.44) BLMESR1ESR2MEN1TSHR
SCHEMBL24961601 0.79 MIF (0.43) BLMESR1ESR2MEN1TSHR
SCHEMBL28928144 0.79 MIF (0.43) BLMESR1ESR2MEN1TSHR
SCHEMBL3665931 0.78 ESR1 (0.53) BLMESR1ESR2MEN1TSHR

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-2009147221-A1 SMALL MOLECULE LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO disclosed