SCHEMBL2012096

SCHEMBL2012096

CC(C)CC(C)(CC(C)C)OC(C)NC(C)(C)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 2/20 0.33
OPRK1 P41145 2/20 0.33
CACNA1D Q01668 2/20 0.33
KCNH2 Q12809 2/20 0.33
CACNA1S Q13698 2/20 0.33
CACNA1C Q13936 2/20 0.33
MAPK1 P28482 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2B P18089 1/20 0.33
CHRM3 P20309 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SCN5A Q14524 1/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 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
Hydrochloric Acid SCHEMBL754670 0.98 CACNA1F (0.33) CACNA1FOPRK1CACNA1DKCNH2CACNA1S
Hydrochloric Acid SCHEMBL9796807 0.73 KCNN4 (0.36) CACNA1FOPRK1CACNA1DKCNH2CACNA1S
Hydrochloric Acid SCHEMBL10708769 0.72 KCNN4 (0.35) CACNA1FOPRK1CACNA1DKCNH2CACNA1S
SCHEMBL5402653 0.70 TDP1 (0.46) CACNA1FOPRK1CACNA1DKCNH2CACNA1S
Hydrochloric Acid SCHEMBL5029119 0.69 SLC6A2 (0.34) KCNH2SLC6A3SLC6A4
SCHEMBL24453542 0.68 CACNA1F (0.43) CACNA1FOPRK1CACNA1DKCNH2CACNA1S
SCHEMBL9324548 0.68 KDM4E (0.34) MAPK1GAATAAR1ALDH1A1ALOX15
SCHEMBL2046316 0.67 GRIN1 (0.34) CACNA1FOPRK1CACNA1DKCNH2CACNA1S
SCHEMBL6277129 0.67 TAAR1 (0.43) MAPK1GAASMN1; SMN2TAAR1ALDH1A1
SCHEMBL6681969 0.67 TAAR1 (0.54) MAPK1GAASMN1; SMN2TAAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3043783-B1 LUBRICATING COMPLEX FOR THE MOUTH PF MEDICAMENT (FR) 2019-11-13 EP disclosed
EP-2512420-B1 USE OF 2,3-DIHYDROXYPROPYL DODECANOATE FOR TREATING SEBORRHEA FABRE PIERRE DERMO COSMETIQUE (FR) 2019-09-04 EP disclosed
EP-3003263-B1 COSMETIC OR DERMATOLOGICAL COMPOSITIONS COMBINING RETINALDEHYDE AND GLYCYLGLYCINE OLEAMIDE, AND THE COSMETIC OR DERMATOLOGICAL USES THEREOF FABRE PIERRE DERMO COSMETIQUE (FR) 2018-11-14 EP disclosed
EP-3003263-A1 COSMETIC OR DERMATOLOGICAL COMPOSITIONS COMBINING RETINALDEHYDE AND GLYCYLGLYCINE OLEAMIDE, AND THE COSMETIC OR DERMATOLOGICAL USES THEREOF Pierre Fabre Dermo-Cosmétique (FR) 2016-04-13 EP disclosed
WO-2015036533-A1 LONG-ACTING LUBRICATING SYSTEM FOR THE MOUTH PIERRE FABRE MEDICAMENT (FR) 2015-03-19 WO disclosed
WO-2014195315-A1 COSMETIC OR DERMATOLOGICAL COMPOSITIONS COMBINING RETINALDEHYDE AND GLYCYLGLYCINE OLEAMIDE, AND THE COSMETIC OR DERMATOLOGICAL USES THEREOF PIERRE FABRE DERMO-COSMETIQUE (FR) 2014-12-11 WO disclosed
EP-2512420-A2 USE OF 2,3-DIHYDROXYPROPYL DODECANOATE FOR TREATING SEBORRHEA Pierre Fabre Dermo-Cosmétique (FR) 2012-10-24 EP disclosed
WO-2011073370-A2 USE OF 2,3-DIHYDROXYPROPYL DODECANOATE FOR TREATING SEBORRHEA PIERRE FABRE DERMO-COSMETIQUE (FR) 2011-06-23 WO disclosed