SCHEMBL995480

SCHEMBL995480

OCC(c1ccccc1)C(O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.48
SLC6A4 P31645 6/20 0.48
SLC6A3 Q01959 6/20 0.48
LMNA P02545 4/20 0.44
TRPA1 O75762 2/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2D6 P10635 1/20 0.42
KCNH2 Q12809 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MAPK1 P28482 1/20 0.41
AOC3 Q16853 3/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL11744344 0.87 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3LMNATRPA1
SCHEMBL10591198 0.83 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3LMNAKDM4E
SCHEMBL3195029 0.83 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3LMNAKDM4E
SCHEMBL111159 0.81 TRPA1 (0.50) SLC6A2SLC6A4SLC6A3LMNATRPA1
Hydrochloric Acid SCHEMBL27673769 0.81 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3LMNAKDM4E
SCHEMBL31380587 0.81 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3LMNATRPA1
SCHEMBL11610825 0.78 TSHR (0.46) SLC6A2SLC6A4SLC6A3LMNATRPA1
SCHEMBL21558017 0.78 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3LMNATRPA1
SCHEMBL9908239 0.78 TAAR1 (0.61) SLC6A2SLC6A4SLC6A3LMNATRPA1
SCHEMBL759880 0.78 TAAR1 (0.61) SLC6A2SLC6A4SLC6A3LMNATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2442783-B1 NOVEL DEODORISING COMPOSITIONS AND DEODORISING PRODUCTS CONTAINING SAME ROBERTET SA (FR) 2017-08-09 EP disclosed
US-9265852-B2 Deordorising compositions and deodorising products containing same ROBERTET S.A. (FR) 2016-02-23 US disclosed
US-20120201778-A1 NOVEL DEORDORISING COMPOSITIONS AND DEODORISING PRODUCTS CONTAINING SAME ROBERTET S.A. (FR) 2012-08-09 US disclosed
EP-2442783-A2 NOVEL DEODORISING COMPOSITIONS AND DEODORISING PRODUCTS CONTAINING SAME Robertet S.A. (FR) 2012-04-25 EP disclosed
EP-2272491-A1 New deodorising compositions and deodorant products containing them Robertet S.A. (FR) 2011-01-12 EP disclosed
WO-2010146258-A2 NOVEL DEODORISING COMPOSITIONS AND DEODORISING PRODUCTS CONTAINING SAME ROBERTET S.A. (FR) 2010-12-23 WO disclosed