SCHEMBL1864936

SCHEMBL1864936

CC(C)(C)c1ccc(CCC=O)cc1.CC(C)(C)c1ccc(CCC=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
KCNH2 Q12809 1/20 0.47
GPR84 Q9NQS5 1/20 0.45
GRIA4 P48058 1/20 0.45
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
ESRRG P62508 5/20 0.44
SLC13A5 Q86YT5 2/20 0.44
DAO P14920 1/20 0.44
ESRRB O95718 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
NR1H4 Q96RI1 3/20 0.41
EPHX2 P34913 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL66122 1.00 TP53 (0.52) TP53TSHRKCNH2GPR84GRIA4
Methane SCHEMBL9798334 0.98 TP53 (0.50) TP53TSHRKCNH2GPR84GRIA4
SCHEMBL1068676 0.88 KCNH2 (0.53) TP53TSHRKCNH2GPR84GRIA4
SCHEMBL30522104 0.87 TP53 (0.45) TP53TSHRKCNH2GPR84GRIA4
SCHEMBL5091992 0.85 TP53 (0.79) TP53TSHRKCNH2GPR84GRIA4
SCHEMBL13991700 0.82 NPC1 (0.40) TP53TSHRKCNH2GPR84LMNA
SCHEMBL9671868 0.82 HIF1A (0.37) CA2LMNA
SCHEMBL21176934 0.81 ESR1 (0.39) TP53TSHRKCNH2GPR84ESRRG
SCHEMBL30536048 0.81 RORC (0.38) TP53TSHRKCNH2GPR84GRIA4
SCHEMBL3639494 0.80 TSHR (0.57) TP53TSHRKCNH2GPR84GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3596192-A1 BENEFIT AGENT CONTAINING DELIVERY PARTICLE SLURRIES The Procter and Gamble Company (US) 2020-01-22 EP disclosed
EP-3541435-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE PERCEPTION OF FECAL MALODOUR Firmenich SA (CH) 2019-09-25 EP disclosed
WO-2018169531-A1 BENEFIT AGENT CONTAINING DELIVERY PARTICLE SLURRIES THE PROCTER & GAMBLE COMPANY (US) 2018-09-20 WO disclosed
WO-2018091686-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE PERCEPTION OF FECAL MALODOUR FIRMENICH SA (CH) 2018-05-24 WO disclosed
EP-3145837-A1 FRESHENING PRODUCT COMPRISING AN AQUEOUS PERFUME COMPOSITION CONTAINED IN A PRESSURIZED PLASTIC CONTAINER The Procter & Gamble Company (US) 2017-03-29 EP disclosed
EP-3052605-A1 COMPOSITIONS COMPRISING HYDROPHOBICALLY MODIFIED POLYAMINE POLYMER COMPATIBLE PERFUME MATERIALS The Procter & Gamble Company (US) 2016-08-10 EP disclosed
EP-3052147-A1 COMPOSITIONS COMPRISING POLYAMINE POLYMER COMPATIBLE PERFUME MATERIALS The Procter & Gamble Company (US) 2016-08-10 EP disclosed
EP-2861702-A2 MALODOR CONTROL COMPOSITIONS HAVING ACTIVATED ALKENES AND METHODS THEREOF The Procter & Gamble Company (US) 2015-04-22 EP disclosed
WO-2015050915-A1 COMPOSITIONS COMPRISING POLYAMINE POLYMER COMPATIBLE PERFUME MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2015-04-09 WO disclosed
WO-2015050916-A1 COMPOSITIONS COMPRISING HYDROPHOBICALLY MODIFIED POLYAMINE POLYMER COMPATIBLE PERFUME MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2015-04-09 WO disclosed
WO-2013188757-A2 MALODOR CONTROL COMPOSITIONS HAVING ACTIVATED ALKENES AND METHODS THEREOF THE PROCTER & GAMBLE COMPANY (US) 2013-12-19 WO disclosed
EP-2648770-A2 UNSCENTED AND LOW SCENTED MALODOR CONTROL COMPOSITIONS AND METHODS THEREOF The Procter and Gamble Company (US) 2013-10-16 EP disclosed
EP-2513280-A1 COMPOSITION COMPRISING ENCAPSULATES, AND PROCESS FOR MAKING THEM The Procter & Gamble Company (US) 2012-10-24 EP disclosed
EP-2496681-A1 HIGH EFFICIENCY CAPSULES COMPRISING BENEFIT AGENT The Procter & Gamble Company (US) 2012-09-12 EP disclosed
WO-2012078626-A2 UNSCENTED AND LOW SCENTED MALODOR CONTROL COMPOSITIONS AND METHODS THEREOF THE PROCTER & GAMBLE COMPANY (US) 2012-06-14 WO disclosed
WO-2011075556-A1 COMPOSITION COMPRISING ENCAPSULATES, AND PROCESS FOR MAKING THEM THE PROCTER & GAMBLE COMPANY (US) 2011-06-23 WO disclosed
WO-2011056934-A1 HIGH EFFICIENCY CAPSULES COMPRISING BENEFIT AGENT THE PROCTER & GAMBLE COMPANY (US) 2011-05-12 WO disclosed