SCHEMBL7180877

SCHEMBL7180877

CCCC[CH]CCCCCCCCCC=O

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.75
FAAH O00519 2/20 0.65
TRPV1 Q8NER1 2/20 0.65
ALDH1A1 P00352 3/20 0.48
HIF1A Q16665 1/20 0.45
ADH1B P00325 2/20 0.42
ADH1C P00326 2/20 0.42
ADH1A P07327 2/20 0.42
ADH7 P40394 2/20 0.42
EPHX1 P07099 1/20 0.42
ADH4 P08319 1/20 0.42
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
EP300 Q09472 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
SCHEMBL27740716 0.95 TSHR (0.84) TSHRFAAHTRPV1ALDH1A1HIF1A
SCHEMBL350393 0.95 TSHR (0.84) TSHRFAAHTRPV1ALDH1A1HIF1A
SCHEMBL1684008 0.95 TSHR (0.84) TSHRFAAHTRPV1ALDH1A1HIF1A
SCHEMBL27719663 0.95 TSHR (0.84) TSHRFAAHTRPV1ALDH1A1HIF1A
SCHEMBL7189299 0.95 TSHR (0.84) TSHRFAAHTRPV1ALDH1A1HIF1A
SCHEMBL10448536 0.95 TSHR (0.84) TSHRFAAHTRPV1ALDH1A1HIF1A
SCHEMBL349758 0.92 TSHR (0.80) TSHRFAAHTRPV1ALDH1A1HIF1A
SCHEMBL5316010 0.92 TSHR (0.78) TSHRFAAHTRPV1ALDH1A1HIF1A
Heptanal SCHEMBL11259390 0.89 TSHR (0.94) TSHRFAAHTRPV1ALDH1A1HIF1A
Pentanal SCHEMBL11434933 0.89

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-6562958-B1 Nucleotide sequences coding polypeptide for use in the treatment and prevention of infections GENOME THERAPEUTICS CORPORATION 2003-05-13 US disclosed