SCHEMBL13613382

SCHEMBL13613382

C=CC(=O)CCCOCCBr

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
ALDH1A1 P00352 4/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL10311146 0.89 TSHR (0.44) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL23485667 0.78 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL16313300 0.78 MEN1 (0.35) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13227923 0.78 TSHR (0.50) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL29251226 0.76
SCHEMBL30583614 0.75 TSHR (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13236321 0.74 TSHR (0.39) TSHRALDH1A1CYP3A4
SCHEMBL19050322 0.74 TSHR (0.39) TSHRALDH1A1CYP3A4
SCHEMBL1346263 0.73 ALDH1A1 (0.32) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11253246 0.73

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
US-7615593-B2 Comprises interpenetrating polymer network/matrix (of collagen and/or gelatin) modified with endcapped polyalkylene glycol; drug delivery; for incorporation into bandages, surgical and dental wound packing material, diapers and catamenial devices WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-11-10 US disclosed