SCHEMBL9513047

SCHEMBL9513047

COCCCC1=CCCCCCCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
RAB9A P51151 6/20 0.44
ALOX15 P16050 2/20 0.44
SMN1; SMN2 Q16637 6/20 0.43
NPC1 O15118 4/20 0.43
HPGD P15428 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
CXCR3 P49682 1/20 0.38

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
SCHEMBL9513044 1.00 ALDH1A1 (0.44) ALDH1A1RAB9AALOX15SMN1; SMN2NPC1
SCHEMBL31414975 0.98 ALDH1A1 (0.45) ALDH1A1RAB9AALOX15SMN1; SMN2NPC1
SCHEMBL19277217 0.86 ALDH1A1 (0.47) ALDH1A1RAB9AALOX15SMN1; SMN2NPC1
SCHEMBL8356970 0.83 ALDH1A1 (0.40) ALDH1A1RAB9AALOX15SMN1; SMN2NPC1
SCHEMBL27628750 0.82 SMN1; SMN2 (0.49) ALDH1A1RAB9AALOX15SMN1; SMN2NPC1
SCHEMBL21741371 0.80
SCHEMBL8671709 0.80 ALDH1A1 (0.50) ALDH1A1RAB9AALOX15SMN1; SMN2NPC1
SCHEMBL9513054 0.79 SMN1; SMN2 (0.41) ALDH1A1RAB9AALOX15SMN1; SMN2NPC1
SCHEMBL11241473 0.79 ALDH1A1 (0.47) ALDH1A1RAB9AALOX15SMN1; SMN2NPC1
SCHEMBL7991234 0.79 ALDH1A1 (0.47) ALDH1A1RAB9AALOX15SMN1; SMN2NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278384-B1 ALCOHOLS AND ETHERS WITH CYCLODODECYL AND CYCLODODECENYL GROUPS, THEIR PREPARATION AND USE AS PARFUMING AGENTS Consortium für elektrochemische Industrie GmbH (DE) 1993-09-29 EP disclosed
US-4948780-A Alcohols and ethers having cyclododecyl and cyclododecenyl groups, process for their preparation and scents containing same CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1990-08-14 US disclosed
EP-0278384-A2 Alcohols and ethers with cyclododecyl and cyclododecenyl groups, their preparation and use as parfuming agents Consortium für elektrochemische Industrie GmbH (DE) 1988-08-17 EP disclosed