SCHEMBL4325567

SCHEMBL4325567

O=C(O)NC[C@H](C(=O)O)c1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.44
ESR2 Q92731 4/20 0.44
SRC P12931 1/20 0.42
FOLH1 Q04609 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTR1A P08908 1/20 0.39
THPO P40225 1/20 0.39
BLM P54132 1/20 0.39
NMUR2 Q9GZQ4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CA12 O43570 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
SCHEMBL4333359 0.85 CYP2C19 (0.52) SRCLMNAALDH1A1SMN1; SMN2CYP2C19
SCHEMBL28290228 0.85 CYP2C19 (0.52) SRCLMNAALDH1A1SMN1; SMN2CYP2C19
SCHEMBL7516063 0.84 ESR1 (0.41) ESR1ESR2SRCFOLH1CNR1
SCHEMBL22338178 0.84 PTGFR (0.46) CNR2ALDH1A1KDM4EPTGS1PTGS2
SCHEMBL7603654 0.83 ESR1 (0.62) ESR1ESR2LMNAHSD17B10ALDH1A1
SCHEMBL4328325 0.82 CNR1 (0.49) ESR1ESR2SRCFOLH1CNR1
SCHEMBL27904288 0.81 TDP1 (0.56) ESR1ESR2SRCFOLH1LMNA
SCHEMBL15636794 0.81 TDP1 (0.50) LMNAHSD17B10ALDH1A1TDP1SMN1; SMN2
SCHEMBL8379019 0.79 TAAR1 (0.58) ALDH1A1TDP1SMN1; SMN2HTR1ATHPO
SCHEMBL8379013 0.79 TAAR1 (0.58) ALDH1A1TDP1SMN1; SMN2HTR1ATHPO

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