SCHEMBL9819115

SCHEMBL9819115

C=CC(=O)OCCc1ccccc1Oc1ccccc1CCOC(=O)C=C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.55
THRA P10827 1/20 0.50
TSHR P16473 5/20 0.47
ALDH1A1 P00352 3/20 0.47
TP53 P04637 2/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ALOX5 P09917 3/20 0.47
CYP3A4 P08684 1/20 0.43
HCAR2 Q8TDS4 1/20 0.41
CXCL8 P10145 2/20 0.40
HPGD P15428 1/20 0.40
AKR1B10 O60218 2/20 0.39
AKR1B1 P15121 2/20 0.39
KDM4E B2RXH2 1/20 0.38
TYR P14679 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
SCHEMBL29831793 0.91 THRB (0.61) THRBTHRATSHRALDH1A1TP53
SCHEMBL27715829 0.89 THRB (0.57) THRBTHRATSHRALDH1A1TP53
SCHEMBL27368628 0.89 THRB (0.63) THRBTHRATSHRALDH1A1TP53
SCHEMBL7189818 0.88 ALOX5 (0.61) THRBTHRATSHRALDH1A1TP53
SCHEMBL7138671 0.85 THRB (0.50) THRBTHRATSHRALDH1A1TP53
SCHEMBL29376736 0.85 THRB (0.50) THRBTHRATSHRALDH1A1TP53
SCHEMBL28241610 0.85 THRB (0.54) THRBTHRATSHRALDH1A1TP53
SCHEMBL9634566 0.85 THRB (0.50) THRBTHRATSHRALDH1A1TP53
SCHEMBL3390967 0.85 THRB (0.56) THRBTHRATSHRALDH1A1TP53
SCHEMBL28458289 0.84 THRB (0.49) THRBTHRATSHRALDH1A1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0217205-B1 COPOLYMERISABLE PHOTOINITIATORS CIBA-GEIGY AG (CH) 1991-12-11 EP disclosed
EP-0217205-A2 Copolymerisable photoinitiators CIBA-GEIGY AG (CH) 1987-04-08 EP disclosed