SCHEMBL28116427

SCHEMBL28116427

O=C(C(Cc1ccc(O)cc1)c1ccccc1O)C(Cc1ccc(O)cc1)c1ccccc1O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.49
ESR2 Q92731 4/20 0.49
SLC7A5 Q01650 1/20 0.43
TSHR P16473 1/20 0.43
CYP19A1 P11511 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
KEAP1 Q14145 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
POLB P06746 1/20 0.41
HDAC8 Q9BY41 2/20 0.40
SOAT2 O75908 1/20 0.40
SOAT1 P35610 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
TAAR1 Q96RJ0 2/20 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
SCHEMBL28837422 0.83 GRIA2 (0.43) TSHRTAAR1
SCHEMBL8590391 0.83 ESR1 (0.49) ESR1ESR2SLC7A5TSHRCYP19A1
SCHEMBL28065773 0.79 TSHR (0.40) TSHRPOLB
SCHEMBL27706512 0.79 ESR1 (0.61) ESR1ESR2SLC7A5FNTAFNTB
SCHEMBL27882553 0.76 SLC1A1 (0.47) TSHR
SCHEMBL28505886 0.76 EPHX1 (0.64) SLC7A5POLB
SCHEMBL27620704 0.76 ESR1 (0.72) ESR1ESR2SLC7A5TAAR1
SCHEMBL27757470 0.75 ESR1 (0.61) ESR1ESR2SLC7A5FNTAFNTB
SCHEMBL7210624 0.75 TSHR (0.60) ESR1ESR2TSHRKEAP1POLB
SCHEMBL27882494 0.75 TSHR (0.42) TSHR

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