SCHEMBL9875573

SCHEMBL9875573

CCCCCOCCC/C=C/CC/C=C/CCCO

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
THRB P10828 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.50
ALDH1A1 P00352 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
LPAR3 Q9UBY5 2/20 0.46
LPAR1 Q92633 1/20 0.44
LPAR2 Q9HBW0 1/20 0.44

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
SCHEMBL9875583 1.00 MEN1 (0.55) MEN1THRBHTTKMT2AMAPT
SCHEMBL12903238 0.89 MEN1 (0.57) MEN1THRBHTTKMT2AMAPT
SCHEMBL13295614 0.88 MEN1 (0.61) MEN1THRBHTTKMT2AMAPT
SCHEMBL6265861 0.88 MEN1 (0.61) MEN1THRBHTTKMT2AMAPT
SCHEMBL28927797 0.88 MEN1 (0.61) MEN1THRBHTTKMT2AMAPT
SCHEMBL17199807 0.86 MEN1 (0.64) MEN1THRBHTTKMT2AMAPT
Ethylene Glycol SCHEMBL3887380 0.86 MEN1 (0.63) MEN1THRBHTTKMT2AMAPT
Ethylene Glycol SCHEMBL10614778 0.86 MEN1 (0.63) MEN1THRBHTTKMT2AMAPT
Ethylene Glycol SCHEMBL28983079 0.86 MEN1 (0.63) MEN1THRBHTTKMT2AMAPT
SCHEMBL13295611 0.85 MEN1 (0.57) MEN1THRBHTTKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4990495-A Conferring, enhancing, improving or modifying odor properties FIRMENICH S.A. (CH) 1991-02-05 US disclosed
EP-0374445-A1 Oxygenated cyclic compounds, their use as perfuming ingredients, process for their preparation FIRMENICH SA (CH) 1990-06-27 EP disclosed