SCHEMBL3685759

SCHEMBL3685759

CCCCCC(C)C(O)CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.52
SPHK1 Q9NYA1 2/20 0.52
LMNA P02545 2/20 0.52
TP53 P04637 2/20 0.52
GMNN O75496 1/20 0.52
POLB P06746 1/20 0.52
THPO P40225 1/20 0.52
MTOR P42345 1/20 0.52
BLM P54132 1/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
CETP P11597 1/20 0.52
HTT P42858 1/20 0.52
UBE2N P61088 1/20 0.52
OPRM1 P35372 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR84 Q9NQS5 3/20 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
SCHEMBL2812180 0.98 CYP2D6 (0.55) CYP2D6SPHK1LMNATP53GMNN
SCHEMBL28876360 0.98 CYP2D6 (0.55) CYP2D6SPHK1LMNATP53GMNN
SCHEMBL28319046 0.98 CYP2D6 (0.55) CYP2D6SPHK1LMNATP53GMNN
SCHEMBL2806965 0.98 CYP2D6 (0.55) CYP2D6SPHK1LMNATP53GMNN
SCHEMBL2811312 0.98 CYP2D6 (0.55) CYP2D6SPHK1LMNATP53GMNN
SCHEMBL5907187 0.93 ALDH1A1 (0.46) CYP2D6SPHK1LMNATP53GMNN
SCHEMBL3873681 0.86 LMNA (0.48) CYP2D6SPHK1LMNATP53GMNN
SCHEMBL9626184 0.85 SPHK1 (0.60) CYP2D6SPHK1LMNATP53GMNN
SCHEMBL25421950 0.85 CYP2D6 (0.52) CYP2D6SPHK1LMNATP53GMNN
SCHEMBL30018032 0.84 SPHK1 (0.48) CYP2D6SPHK1LMNATP53GMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206933-B1 Compositions comprising caprylyl glycol and iodopropynyl butylcarbamate JOHNSON & JOHNSON CONSUMER FR (FR) 2006-05-17 EP claimed
US-7854940-B2 A mixture of caprylyl glycol with a preservative comprising chloroxylenol and 2- phenoxyethanol; effective activity against Pseudomonas aeruginosa, Entamoeba gingivere, Candida albicans and Aspergillus niger; shelf life of personal care products, cosmetics ARCH CHEMICALS, INC. (US) 2010-12-21 US disclosed
EP-1788869-A2 BROAD SPECTRUM PRESERVATION BLENDS Arch Chemicals, Inc. (US) 2007-05-30 EP disclosed
EP-0809492-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2007-01-24 EP disclosed
EP-1206933-B1 Compositions comprising caprylyl glycol and iodopropynyl butylcarbamate JOHNSON & JOHNSON CONSUMER FR (FR) 2006-05-17 EP disclosed
WO-2006033970-A2 BROAD SPECTRUM PRESERVATION BLENDS ARCH CHEMICALS, INC. (US) 2006-03-30 WO disclosed
US-20060057175-A1 A mixture of caprylyl glycol with a preservative comprising chloroxylenol and 2- phenoxyethanol; effective activity against Pseudomonas aeruginosa, Entamoeba gingivere, Candida albicans and Aspergillus niger; shelf life of personal care products, cosmetics ARCH CHEMICALS, INC. 2006-03-16 US disclosed
EP-1238651-B1 Agents for potentiating preservatives in sunscreen formulations JOHNSON & JOHNSON CONSUMER FR (FR) 2005-10-05 EP disclosed
EP-1238651-A1 Agents for potentiating preservatives in sunscreen formulations Johnson & Johnson Consumer France SAS (FR) 2002-09-11 EP disclosed
EP-1206933-A1 Compositions comprising caprylyl glycol and preservatives Johnson & Johnson Consumer France SAS (FR) 2002-05-22 EP disclosed
EP-0809492-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP disclosed
WO-1996025157-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-08-22 WO disclosed