SCHEMBL9719207

SCHEMBL9719207

C=CCOC.CC(O)COCCOCCOCCOCCOCCOCCOCCO.O=C(O)/C=C\C(=O)OCCOCCOCCOCCOCCOCCO

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.38
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30

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
Fumaric Acid SCHEMBL9719203 0.93 HSD17B10 (0.34) HSD17B10TDP1
Hexaethylene Glycol SCHEMBL9719257 0.93 HSD17B10 (0.34) HSD17B10TDP1
Fumaric Acid SCHEMBL9719211 0.93 HSD17B10 (0.34) HSD17B10TDP1
Fumaric Acid SCHEMBL9719243 0.81 HSD17B10 (0.44) HCAR2TSHRALDH1A1TP53HSD17B10
Fumaric Acid SCHEMBL9719239 0.81 HSD17B10 (0.44) HCAR2TSHRALDH1A1TP53HSD17B10
Fumaric Acid SCHEMBL9719235 0.81 HSD17B10 (0.44) HCAR2TSHRALDH1A1TP53HSD17B10
Maleic Acid SCHEMBL9719226 0.81 HSD17B10 (0.44) HCAR2TSHRALDH1A1TP53HSD17B10
Acrylic Acid SCHEMBL6667897 0.77 HSD17B10 (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8346317 0.76 HCAR2 (0.57) HCAR2TSHRALDH1A1TP53HIF1A
SCHEMBL11194603 0.76 HCAR2 (0.57) HCAR2TSHRALDH1A1TP53HIF1A

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
US-5162402-A For concrete containing a polymeric composition SANDOZ LTD. (CH) 1992-11-10 US claimed
US-5162402-A For concrete containing a polymeric composition SANDOZ LTD. (CH) 1992-11-10 US disclosed