SCHEMBL28116858

SCHEMBL28116858

O=C(C(Cc1cccc(O)c1)c1cccc(O)c1)C(Cc1cccc(O)c1)c1cccc(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.45
ENPP2 Q13822 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KYNU Q16719 1/20 0.43
EPHX1 P07099 1/20 0.42
ADRB1 P08588 1/20 0.42
MIF P14174 1/20 0.42
HTR2A P28223 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
LMNA P02545 2/20 0.42
HIF1A Q16665 2/20 0.42
KDM4E B2RXH2 1/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CTBP2 P56545 1/20 0.41
GALR3 O60755 1/20 0.41

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
SCHEMBL4719282 0.81 EPHX1 (0.53) GRIA2KYNUEPHX1LMNAHIF1A
SCHEMBL28837422 0.80 GRIA2 (0.43) GRIA2ENPP2SLC6A2SLC6A4SLC6A3
SCHEMBL11019097 0.79 EPHX1 (0.73) GRIA2KYNUEPHX1LMNAHIF1A
SCHEMBL15652786 0.79 ROCK2 (0.49) ENPP2SLC6A3KYNUADRB1MIF
SCHEMBL27658933 0.79 KYNU (0.45) SLC6A3KYNUADRB1MIFHTR2A
SCHEMBL31589346 0.78 ENPP2 (0.50) GRIA2ENPP2SLC6A2SLC6A4SLC6A3
SCHEMBL28837383 0.75 ENPP2 (0.49) GRIA2ENPP2LMNAHIF1AKDM4E
SCHEMBL14304734 0.75 ESR1 (0.60) GRIA2SLC6A2SLC6A4SLC6A3EPHX1
SCHEMBL28116860 0.75 ENPP2 (0.43) GRIA2ENPP2SLC6A2SLC6A4SLC6A3
SCHEMBL28048066 0.75 HIF1A (0.63) SLC6A3KYNUADRB1MIFHTR2A

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
CN-106547168-A A kind of black-matrix material compositionss and application 深圳市华星光电技术有限公司 2017-03-29 CN disclosed