SCHEMBL28837422

SCHEMBL28837422

O=C(C(Cc1cccc(O)c1)c1ccccc1O)C(Cc1cccc(O)c1)c1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.43
ENPP2 Q13822 1/20 0.42
HIF1A Q16665 1/20 0.41
TSHR P16473 1/20 0.41
IDO1 P14902 1/20 0.40
CTBP2 P56545 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
OPRK1 P41145 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 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
SCHEMBL27882553 0.86 SLC1A1 (0.47) TSHR
SCHEMBL28116427 0.83 ESR1 (0.49) TSHRTAAR1
SCHEMBL28837383 0.82 ENPP2 (0.49) GRIA2ENPP2HIF1ADRD2DRD1
SCHEMBL28116858 0.80 GRIA2 (0.45) GRIA2ENPP2HIF1ACTBP2DRD2
SCHEMBL28065773 0.79 TSHR (0.40) TSHR
SCHEMBL28837424 0.78 ENPP2 (0.40) GRIA2ENPP2HIF1ADRD2DRD1
SCHEMBL8590391 0.73 ESR1 (0.49) TSHRCYP1A2CYP3A4NFKB1MAPK1
SCHEMBL28505886 0.73 EPHX1 (0.64) CYP1A2PKM
SCHEMBL27588363 0.73 SLC1A1 (0.46) TSHRMAPK1
SCHEMBL3455688 0.73 MRGPRX4 (0.44) GRIA2CYP3A4PKMALOX15

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