SCHEMBL28116802

SCHEMBL28116802

O=CC(Cc1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.52
ESR2 Q92731 14/20 0.52
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC7A5 Q01650 1/20 0.44
TAAR1 Q96RJ0 3/20 0.44
SLC6A2 P23975 1/20 0.44

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
SCHEMBL5658423 0.91 SLC7A5 (0.44) ESR1ESR2MEN1KMT2ASLC7A5
SCHEMBL4217495 0.91 ESR1 (0.43) ESR1ESR2MEN1ALDH1A1CYP1A2
SCHEMBL28865205 0.80 TSHR (0.39) ALDH1A1CYP3A4
SCHEMBL24187018 0.80 ESR1 (0.52) ESR1ESR2MEN1ALDH1A1CYP1A2
SCHEMBL28865180 0.80 MME (0.39) CYP2C19TAAR1
SCHEMBL21959682 0.78 ESR1 (0.50) ESR1ESR2MEN1ALDH1A1CYP1A2
SCHEMBL15653584 0.78 TAAR1 (0.52) ESR1ESR2ALDH1A1CYP1A2CYP3A4
SCHEMBL9714748 0.78 ESR1 (0.54) ESR1ESR2ALDH1A1CYP1A2CYP3A4
SCHEMBL24186970 0.77 ESR1 (0.53) ESR1ESR2MEN1ALDH1A1CYP1A2
SCHEMBL8590396 0.77 ESR1 (0.41) ESR1ESR2SLC7A5TAAR1SLC6A2

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