SCHEMBL15936612

SCHEMBL15936612

NC(N)NCCCCC=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.41
TSHR P16473 2/20 0.37
FAAH O00519 2/20 0.33
TRPV1 Q8NER1 2/20 0.33
ADH1B P00325 2/20 0.31
ADH1C P00326 2/20 0.31
ADH1A P07327 2/20 0.31
ADH7 P40394 2/20 0.31
EPHX1 P07099 1/20 0.30
ADH4 P08319 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
SCHEMBL7672129 0.76 TSHR (0.42) HIF1ATSHRFAAHTRPV1ADH1B
SCHEMBL10014846 0.76
SCHEMBL15936617 0.75
SCHEMBL32670245 0.74 TSHR (0.46) HIF1ATSHRFAAHTRPV1ADH1B
SCHEMBL8282261 0.72
SCHEMBL17130434 0.71 TSHR (0.43) HIF1ATSHRFAAHTRPV1ADH1B
SCHEMBL13692972 0.71
SCHEMBL13365342 0.70 CA12 (0.55) HIF1ATSHR
SCHEMBL12949381 0.70 TSHR (0.46) HIF1ATSHRFAAHTRPV1ADH1B
SCHEMBL13261221 0.70 TSHR (0.46) HIF1ATSHRFAAHTRPV1ADH1B

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
WO-2014120974-A1 SELECTIVE DELIVERY MOLECULES AND METHODS OF USE AVELAS BIOSCIENCES, INC. (US) 2014-08-07 WO disclosed