SCHEMBL22259482

SCHEMBL22259482

CNC1CCC2CCCCCC2C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL1108640 0.98 ALDH1A1 (0.40) ALDH1A1
SCHEMBL15291359 0.98 ALDH1A1 (0.40) ALDH1A1
SCHEMBL23079165 0.93 ALDH1A1 (0.40) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL13066300 0.93 ALDH1A1 (0.33) ALDH1A1
SCHEMBL28017655 0.93 ALDH1A1 (0.40) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL19914450 0.91 ALDH1A1 (0.38) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL19914461 0.91 ALDH1A1 (0.38) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL25811204 0.90 KDM1A (0.31)
SCHEMBL27114928 0.88 ALDH1A1 (0.36) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL19825851 0.87 ALDH1A1 (0.44) ALDH1A1HSD17B10

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-2020150423-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2020-07-23 WO disclosed