SCHEMBL4851665

SCHEMBL4851665

CC(C)(CO)C(O)C(=O)NCCC(=O)OCC(C)(C)C(O)C(=O)NCCCO

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.71
KCNH2 Q12809 1/20 0.71
VNN1 O95497 13/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.36
AURKA O14965 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
TLR2 O60603 1/20 0.32

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
SCHEMBL2000848 0.88 PTGS1 (0.52) PTGS1KCNH2VNN1AURKA
Pantothenic Acid SCHEMBL14126323 0.88 PTGS1 (0.52) PTGS1KCNH2VNN1AURKA
SCHEMBL7763866 0.88 PTGS1 (0.52) PTGS1KCNH2VNN1ZDHHC20AURKA
SCHEMBL25181754 0.88 PTGS1 (0.60) PTGS1KCNH2VNN1TDP1TLR2
SCHEMBL28165293 0.86 PTGS1 (0.56) PTGS1KCNH2VNN1ZDHHC20AURKA
SCHEMBL7858897 0.85 PTGS1 (0.56) PTGS1KCNH2TLR2
Dexpanthenol SCHEMBL2127141 0.84 PTGS1 (1.00) PTGS1KCNH2VNN1ZDHHC20TDP1
Panthenol SCHEMBL15567 0.84 PTGS1 (1.00) PTGS1KCNH2VNN1ZDHHC20TDP1
Panthenol SCHEMBL1228499 0.84 PTGS1 (1.00) PTGS1KCNH2VNN1ZDHHC20TDP1
Dexpanthenol SCHEMBL15861 0.84 PTGS1 (1.00) PTGS1KCNH2VNN1ZDHHC20TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452597-B2 Interference pigments comprising a layer of silicon oxide CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-11-18 US disclosed
US-20060099420-A1 Novel interference pigments CIBA SPECIALTY CHEMICALS CORP. 2006-05-11 US disclosed
CN-1266356-A Storage receptacle PROCTER & GAMBLE (US) 2000-09-13 CN disclosed
EP-0787005-A2 DERMATOLOGICAL COMPOSITIONS CONTAINING BENZOYL PEROXIDE AND A COMPOUND REDUCING SKIN IRRITATION THE PROCTER & GAMBLE COMPANY (US) 1997-08-06 EP disclosed
WO-1996012498-A2 DERMATOLOGICAL COMPOSITIONS CONTAINING BENZOYL PEROXIDE AND A COMPOUND REDUCING SKIN IRRITATION THE PROCTER & GAMBLE COMPANY (US) 1996-05-02 WO disclosed