SCHEMBL7086822

SCHEMBL7086822

OCC(Cl)COCC(Cl)CO.Oc1cccc2c(O)cccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.38
CYP1A2 P05177 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.38
APP P05067 1/20 0.38
THRB P10828 1/20 0.38
CASP1 P29466 1/20 0.38
SNCA P37840 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CDK2 P24941 1/20 0.35
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
PARP1 P09874 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
Resorcinol SCHEMBL7089771 0.79 CYP3A4 (0.46) CYP1A2HSD17B10ALOX15TSHRTDP1
Hydroquinone SCHEMBL7086848 0.78 CA2 (0.36) IDO1CYP1A2HSD17B10MAPTHPGD
SCHEMBL7037851 0.74 TP53 (0.47) TSHRTDP1LMNATP53
SCHEMBL6358313 0.74 HSD17B10 (0.42) IDO1CYP1A2HSD17B10MAPTHPGD
SCHEMBL7089768 0.73 ESR1 (0.44) ESR1ESR2MEN1KMT2A
SCHEMBL7086825 0.72 CYP1A2 (0.53) IDO1CYP1A2HSD17B10TSHRTDP1
SCHEMBL7087003 0.70 ESR1 (0.52) IDO1MAPTESR1ESR2MEN1
SCHEMBL7089805 0.70 CYP1A2 (0.42) CYP1A2HSD17B10ALOX15TSHRTDP1
SCHEMBL7088305 0.70 PRKCA (0.41) HSD17B10MAPTALOX15THRBCDK2
SCHEMBL29351230 0.69 IDO1 (0.73) IDO1CYP1A2HSD17B10MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030149219-A1 Process for manufacturing a hydroxyester derivative intermediate and epoxy resins prepared therefrom BORIACK CLINTON J (US) 2003-08-07 US claimed
US-6534621-B2 Epoxidizing an alpha-halohydrin intermediate produced from an in situ halide substitution-deesterification of an alpha-hydroxy ester derivative DOW GLOBAL TECHNOLOGIES INC. 2003-03-18 US claimed
US-20020045707-A1 Process for manufacturing a hydroxyester derivative intermediate and epoxy resins prepared therefrom DOW GLOBAL TECHNOLOGIES INC. 2002-04-18 US claimed