SCHEMBL11688012

SCHEMBL11688012

O=C(O)C(CCO)(c1ccccc1)c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.46
ESR1 P03372 4/20 0.46
ESR2 Q92731 4/20 0.46
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 2/20 0.46
OPRM1 P35372 4/20 0.39
DRD3 P35462 2/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
CES2 O00748 1/20 0.38
CYP1A2 P05177 1/20 0.38
CA2 P00918 1/20 0.38
CAMK2A Q9UQM7 1/20 0.38
CHRM2 P08172 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
CHRM4 P08173 1/20 0.38
KDM4E B2RXH2 1/20 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
SCHEMBL4399206 0.91 CYP1A2 (0.45) KIF11ALDH1A1OPRM1DRD3DRD2
SCHEMBL2220443 0.81 ESR1 (0.44) KIF11ESR1ESR2ALDH1A1CYP3A4
SCHEMBL4192834 0.81 FNTA (0.46) KIF11ESR1ESR2ALDH1A1CYP3A4
SCHEMBL28305537 0.80 CYP2C19 (0.48) KIF11ESR1ESR2ALDH1A1CYP3A4
SCHEMBL27965739 0.80 ESR1 (0.52) KIF11ESR1ESR2ALDH1A1CYP3A4
SCHEMBL9562152 0.78 ESR1 (0.62) KIF11ESR1ESR2ALDH1A1CYP3A4
SCHEMBL890797 0.78 ESR1 (0.57) ESR1ESR2ALDH1A1CYP3A4CYP1A2
SCHEMBL2291376 0.76 SMN1; SMN2 (0.48) KIF11ESR1ESR2ALDH1A1CYP3A4
SCHEMBL28165682 0.75 ESR2 (0.50) KIF11ESR1ESR2ALDH1A1CYP3A4
SCHEMBL4221554 0.75 ESR1 (0.54) KIF11ESR1ESR2ALDH1A1CYP3A4

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
US-4054712-A ELECTROGRAPHY CANON KABUSHIKI KAISHA (JA) 1977-10-18 US disclosed