SCHEMBL8600712

SCHEMBL8600712

CCCCCCC1C(=O)CCC1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
PTGER2 P43116 6/20 0.41
PTGER4 P35408 2/20 0.41
PTGER3 P43115 2/20 0.41
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
EPHX1 P07099 1/20 0.37
PRKCA P17252 3/20 0.36
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
DAGLA Q9Y4D2 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
SCHEMBL8965184 0.98 CYP1A2 (0.43) CYP1A2PTGER2PTGER4PTGER3HTT
SCHEMBL8965187 0.98 CYP1A2 (0.43) CYP1A2PTGER2PTGER4PTGER3HTT
SCHEMBL8964738 0.98 CYP1A2 (0.43) CYP1A2PTGER2PTGER4PTGER3HTT
SCHEMBL158776 0.98 CYP1A2 (0.43) CYP1A2PTGER2PTGER4PTGER3HTT
SCHEMBL8964734 0.98 CYP1A2 (0.43) CYP1A2PTGER2PTGER4PTGER3HTT
SCHEMBL1614409 0.92 HTT (0.40) CYP1A2PTGER2PTGER4PTGER3HTT
Acetic Acid SCHEMBL1482741 0.90 PTGER2 (0.44) CYP1A2PTGER2PTGER4PTGER3HTT
Acetic Acid SCHEMBL18130856 0.90 PTGER2 (0.44) CYP1A2PTGER2PTGER4PTGER3HTT
Acetic Acid SCHEMBL4134829 0.90 PTGER2 (0.44) CYP1A2PTGER2PTGER4PTGER3HTT
SCHEMBL10455764 0.89 CYP1A2 (0.44) CYP1A2PTGER2PTGER4PTGER3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3423028-B1 METHOD FOR THE PRODUCTION OF ENCAPSULATED FRAGRANCE WITH IMPROVED STABILITY AGAINST DETERGENTS SYMRISE AG (DE) 2020-04-08 EP claimed
US-12016963-B2 Freshening compositions with alkoxylated phenols THE PROCTER & GAMBLE COMPANY (US) 2024-06-25 US disclosed
EP-3160434-A1 FLAVOUR AND FRAGRANCE COMPOSITIONS COMPRISING ACETOPHENONE DERIVATIVES Symrise AG (DE) 2017-05-03 EP disclosed
WO-2016001263-A1 FLAVOUR AND FRAGRANCE COMPOSITIONS COMPRISING ACETOPHENONE DERIVATIVES SYMRISE AG (DE) 2016-01-07 WO disclosed
CN-103030538-A Fragrances with note of lily of the valley SYMRISE AG 2013-04-10 CN disclosed
CN-1098350-C Fabric softening compound/composition PROCTER & GAMBLE (US) 2003-01-08 CN disclosed
CN-1283219-A Fatty acids, soaps, surfactant systems and consumer products based thereon PROCTER & GAMBLE (US) 2001-02-07 CN disclosed
CN-1263552-A softener actives derived from acylated triethanolamine PROCTER & GAMBLE (US) 2000-08-16 CN disclosed
EP-0821723-A1 BLEACHING COMPOSITIONS WITH SELECTED PERFUMES FOR MASKING BLEACH ODOR THE PROCTER & GAMBLE COMPANY (US) 1998-02-04 EP disclosed
WO-1996031590-A1 BLEACHING COMPOSITIONS WITH SELECTED PERFUMES FOR MASKING BLEACH ODOR THE PROCTER & GAMBLE COMPANY (US) 1996-10-10 WO disclosed