SCHEMBL25867806

SCHEMBL25867806

C=CC(=O)OCCCc1ccc2c(c1)sc1cc(OC(=O)C=C)ccc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.46
TSHR P16473 5/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 1/20 0.39
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MET P08581 5/20 0.35
AKR1B10 O60218 4/20 0.33
AKR1B1 P15121 4/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL25869084 0.91 THRB (0.45) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL25852966 0.87 THRB (0.49) THRBTSHRHPGDESR1ESR2
SCHEMBL803488 0.84 THRB (0.49) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL31092348 0.84 THRB (0.49) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL25854441 0.83 THRB (0.40) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL25854566 0.82 THRB (0.42) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL25852962 0.82 THRB (0.44) THRBTSHRALDH1A1ESR1
SCHEMBL25853310 0.82 MET (0.36) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL25853589 0.82 THRB (0.38) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL25879495 0.81 THRB (0.46) THRBTSHRHPGDALDH1A1CYP3A4

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
WO-2023134598-A1 POLYMERISABLE COMPOUND, COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE 烟台显华科技集团股份有限公司 2023-07-20 WO disclosed