SCHEMBL7516063

SCHEMBL7516063

O=C(CO)NCC(C(=O)O)c1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
SRC P12931 1/20 0.39
FOLH1 Q04609 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
LMNA P02545 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 3/20 0.36
HTR1A P08908 1/20 0.36
THPO P40225 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NMUR2 Q9GZQ4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
OPRM1 P35372 2/20 0.36

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
SCHEMBL7509646 0.86 CYP2C19 (0.47) SRCALDH1A1SMN1; SMN2CYP2C19
SCHEMBL4325567 0.84 ESR1 (0.44) ESR1ESR2SRCFOLH1CNR1
SCHEMBL27904288 0.77 TDP1 (0.56) ESR1ESR2SRCFOLH1LMNA
SCHEMBL7087165 0.76 ESR1 (0.48) ESR1ESR2SRCLMNAHSD17B10
SCHEMBL15904230 0.75 SRC (0.43) ESR1ESR2SRCFOLH1CNR1
SCHEMBL7269720 0.74 SYK (0.46) ESR1ESR2FOLH1GAA
SCHEMBL7505687 0.74 SMN1; SMN2 (0.46) LMNASMN1; SMN2KDM4ECYP2C9L3MBTL1
SCHEMBL9702510 0.74 ESR1 (0.50) ESR1ESR2SRCCNR1CNR2
SCHEMBL927673 0.73 ESR1 (0.46) ESR1ESR2SRCCNR1CNR2
SCHEMBL4808140 0.72 FOLH1 (0.54) SRCFOLH1CNR1CNR2BLM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263747-A1 1,5-BENZOTHIAZEPINES AND THEIR USE AS HYPOLIPIDAEMICS AstraZeneca AB (SE) 2002-12-11 EP claimed
WO-2001066533-A1 1,5-BENZOTHIAZEPINES AND THEIR USE AS HYPOLIPIDAEMICS ASTRAZENECA AB (SE) 2001-09-13 WO claimed
EP-1263747-A1 1,5-BENZOTHIAZEPINES AND THEIR USE AS HYPOLIPIDAEMICS AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001066533-A1 1,5-BENZOTHIAZEPINES AND THEIR USE AS HYPOLIPIDAEMICS ASTRAZENECA AB (SE) 2001-09-13 WO disclosed