SCHEMBL10407138

SCHEMBL10407138

C=CC(=O)OCCOC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCCOC(=O)C=C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.53
ALDH1A1 P00352 4/20 0.53
TP53 P04637 3/20 0.53
HIF1A Q16665 3/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP3A4 P08684 3/20 0.48
THRB P10828 3/20 0.45
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL11403626 0.79 TSHR (0.55) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL17368676 0.78 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10406673 0.78 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10044296 0.78 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10611047 0.78 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL93462 0.77 TSHR (0.84) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL30604742 0.77 TSHR (0.84) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL7783160 0.76 F2 (0.34) TSHRALDH1A1
SCHEMBL289840 0.76 CYP3A4 (0.52) TSHRALDH1A1TP53HSD17B10CYP3A4
SCHEMBL10508670 0.75 TSHR (0.80) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60166307-A None JP disclosed
US-4921890-A Process for improving polymer substrate properties, and flame retardancy modified polymers produced thereby INTERA COMPANY, LTD. (US) 1990-05-01 US disclosed
EP-0294531-A2 Treatment of polymer substrates Intera Company, Ltd (US) 1988-12-14 EP disclosed
EP-0187958-A2 Resin for information recording medium TORAY INDUSTRIES, INC. (JP) 1986-07-23 EP disclosed
JP-S60166307-A PLASTIC MATERIAL FOR OPTICAL USE AGENCY OF IND SCIENCE & TECHNOL 1985-08-29 JP disclosed