SCHEMBL721352

SCHEMBL721352

CC1(C)CCc2cc(CCC=O)ccc21.CCCCCCCC=CCCC=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.39
TRPV1 Q8NER1 3/20 0.39
ESR2 Q92731 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
GMNN O75496 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
IDE P14735 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL29369745 0.86 ESR2 (0.38) ESR2CYP3A4MEN1KMT2ATRPM8
Propionaldehyde SCHEMBL28691086 0.84 ESR2 (0.37) ESR2CYP3A4MEN1KMT2ATRPM8
SCHEMBL29364769 0.76 CYP26B1 (0.37) ESR2CYP2C9CYP2C19
SCHEMBL295952 0.76 CYP26B1 (0.37) ESR2CYP2C9CYP2C19
SCHEMBL27164761 0.75 ESR2 (0.42) ESR2TRPM8
SCHEMBL18741112 0.73 ESR2 (0.41) ESR2TRPM8
SCHEMBL27473293 0.71 SLC6A2 (0.42) KDM4ELMNATP53CYP3A4HIF1A
SCHEMBL8795908 0.71 CYP26B1 (0.51) CYP3A4
SCHEMBL7143189 0.69 CYP26B1 (0.47) CYP3A4
SCHEMBL18741136 0.67 TACR1 (0.32)

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-20150297482-A1 MALODOR COUNTERACTING COMPOSITIONS AND METHOD FOR THEIR USE TO COUNTERACT SWEAT MALODOR FIRMENICH SA (CH) 2015-10-22 US disclosed
US-9101783-B2 Malodor counteracting compositions and method for their use to counteract sweat malodor FIRMENICH SA (CH) 2015-08-11 US disclosed
US-20120052031-A1 MALODOR COUNTERACTING COMPOSITIONS AND METHOD FOR THEIR USE TO COUNTERACT SWEAT MALODOR FIRMENICH SA (CH) 2012-03-01 US disclosed