SCHEMBL9738374

SCHEMBL9738374

CC1(c2cccs2)CCCO1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.41
MEN1 O00255 1/20 0.41
PRCP P42785 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ICMT O60725 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
LMNA P02545 3/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
TP53 P04637 2/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL28983665 0.86 ICMT (0.46) SLC6A3SLC6A2SLC6A4MEN1PRCP
SCHEMBL7475906 0.81 SLC6A2 (0.44) SLC6A3SLC6A2SLC6A4MEN1PRCP
SCHEMBL754463 0.76 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4MEN1PRCP
SCHEMBL2770883 0.74 ICMT (0.35) SLC6A3SLC6A2SLC6A4ICMTOPRM1
SCHEMBL9773287 0.73 SLC6A3 (0.37) SLC6A3SLC6A2SLC6A4MEN1PRCP
SCHEMBL19796074 0.72 SLC6A3 (0.53) SLC6A3SLC6A2SLC6A4MEN1PRCP
SCHEMBL1719841 0.71 SLC6A2 (0.44) SLC6A3SLC6A2SLC6A4MEN1PRCP
SCHEMBL8732418 0.71 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4MEN1PRCP
SCHEMBL7383033 0.71 ALDH1A1 (0.44) SLC6A2MEN1PRCPKMT2ASIGMAR1
SCHEMBL11315800 0.71

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
US-5145703-A Adding to foods to enhance flavor HAARMANN & REIMER (DE) 1992-09-08 US disclosed
EP-0459198-A2 Thioalkanones, procedure for their preparation and their use HAARMANN & REIMER GMBH (DE) 1991-12-04 EP disclosed
US-3978240-A FLAVORING LEVER BROTHERS COMPANY (US) 1976-08-31 US disclosed