SCHEMBL28116428

SCHEMBL28116428

O=CC(Cc1ccc(O)cc1)c1ccccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.41
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
SLC7A5 Q01650 1/20 0.39
CYP19A1 P11511 1/20 0.38
TAAR1 Q96RJ0 3/20 0.38
TSHR P16473 1/20 0.38
SLC6A2 P23975 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
POLB P06746 1/20 0.37
OPRM1 P35372 1/20 0.37

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
SCHEMBL8590396 0.83 ESR1 (0.41) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL28837424 0.83 ENPP2 (0.40) TAAR1SLC6A2KDM4EOPRK1
SCHEMBL5658423 0.79 SLC7A5 (0.44) SLC7A5MEN1KMT2ATRPV1POLB
SCHEMBL28983105 0.77 TSHR (0.44) PTPN2PTPN1TSHRKDM4EALDH1A1
SCHEMBL4217495 0.76 ESR1 (0.43) SLC7A5TAAR1TSHRSLC6A2MEN1
SCHEMBL9500981 0.75 TSHR (0.57) PTPN2PTPN1TSHRKDM4EALDH1A1
SCHEMBL28770675 0.75 YARS1 (0.37) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL7210624 0.74 TSHR (0.60) KEAP1TAAR1TSHRSLC6A2KDM4E
SCHEMBL9287878 0.72 POLB (0.44) SLC7A5TAAR1TSHRSLC6A2GABRA1
SCHEMBL7197326 0.71 CAPN1 (0.44) SLC7A5TSHRALDH1A1MAPTKMT2A

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