SCHEMBL9819239

SCHEMBL9819239

C=CC(=O)OCCOc1ccc(CC(C)(C=O)OC(=O)C=C)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.53
TSHR P16473 3/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
THRA P10827 1/20 0.36
ACACB O00763 1/20 0.36
PPARG P37231 5/20 0.35
PPARA Q07869 4/20 0.35
PPARD Q03181 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9174795 0.85 THRB (0.56) THRBTSHRHPGDALDH1A1KDM4E
SCHEMBL14574017 0.84 THRB (0.61) THRBTSHRHPGDALDH1A1TP53
SCHEMBL8034175 0.84 THRB (0.57) THRBTSHRHPGDALDH1A1KDM4E
SCHEMBL3880984 0.83 THRB (0.60) THRBTSHRHPGDALDH1A1TP53
SCHEMBL9819178 0.83 THRB (0.42) THRBTSHRALDH1A1SMN1; SMN2TP53
SCHEMBL196997 0.81 THRB (0.57) THRBTSHRHPGDALDH1A1KDM4E
SCHEMBL9819166 0.79 CYP3A4 (0.45) THRBALDH1A1LMNAGAATHRA
SCHEMBL14173110 0.79 THRB (0.65) THRBTSHRHPGDALDH1A1KDM4E
SCHEMBL9819130 0.79 CYP3A4 (0.50) THRBTSHRALDH1A1SMN1; SMN2HIF1A
SCHEMBL12039352 0.79 THRB (0.65) THRBTSHRHPGDALDH1A1KDM4E

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
EP-0217205-B1 COPOLYMERISABLE PHOTOINITIATORS CIBA-GEIGY AG (CH) 1991-12-11 EP disclosed