SCHEMBL798792

SCHEMBL798792

CC(CCCCCCCCCCCCCCCC(=O)O)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.67
LTA4H P09960 1/20 0.62
FFAR4 Q5NUL3 2/20 0.59
FFAR1 O14842 2/20 0.59
TSHR P16473 5/20 0.55
LMNA P02545 1/20 0.55
NFKB1 P19838 1/20 0.55
PMP22 Q01453 1/20 0.55
ACE2 Q9BYF1 1/20 0.53
BLM P54132 1/20 0.52
ALDH1A1 P00352 3/20 0.52
PPARG P37231 6/20 0.50
PPARD Q03181 6/20 0.50
PPARA Q07869 6/20 0.50
HDAC11 Q96DB2 5/20 0.50
GPR84 Q9NQS5 4/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
PTPN1 P18031 2/20 0.50

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
SCHEMBL3809162 1.00 CYP1A2 (0.67) CYP1A2LTA4HFFAR4FFAR1TSHR
SCHEMBL3813886 1.00 CYP1A2 (0.67) CYP1A2LTA4HFFAR4FFAR1TSHR
SCHEMBL5710453 1.00 CYP1A2 (0.67) CYP1A2LTA4HFFAR4FFAR1TSHR
SCHEMBL3811423 1.00 CYP1A2 (0.67) CYP1A2LTA4HFFAR4FFAR1TSHR
SCHEMBL2763157 1.00 CYP1A2 (0.67) CYP1A2LTA4HFFAR4FFAR1TSHR
SCHEMBL3818540 1.00 CYP1A2 (0.67) CYP1A2LTA4HFFAR4FFAR1TSHR
SCHEMBL3816098 1.00 CYP1A2 (0.67) CYP1A2LTA4HFFAR4FFAR1TSHR
SCHEMBL21998 1.00 CYP1A2 (0.67) CYP1A2LTA4HFFAR4FFAR1TSHR
SCHEMBL2835395 1.00 CYP1A2 (0.67) CYP1A2LTA4HFFAR4FFAR1TSHR
SCHEMBL3812601 1.00 CYP1A2 (0.67) CYP1A2LTA4HFFAR4FFAR1TSHR

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
US-9314413-B2 Cosmetic compositions containing esters based on 2-propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2016-04-19 US disclosed
US-9314414-B2 Cosmetic compositions containing esters based on 2-propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2016-04-19 US disclosed
US-20140121286-A1 Cosmetic Compositions Containing Esters Based on 2-Propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2014-05-01 US disclosed
US-20140121394-A1 Cosmetic Compositions Containing Esters Based on 2-Propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2014-05-01 US disclosed
US-8642652-B2 Cosmetic compositions containing esters based on 2-propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2014-02-04 US disclosed
EP-2616039-A2 A COSMETIC COMPOSITION FOR LIP MAKE-UP Chanel Parfums Beauté (FR) 2013-07-24 EP disclosed
US-20130142745-A1 COSMETIC COMPOSITION FOR LIP MAKE-UP CHANEL PARFUMS BEAUTE (FR) 2013-06-06 US disclosed
WO-2013042797-A1 PROCESS FOR PRODUCING SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-28 WO disclosed
WO-2012034928-A2 A COSMETIC COMPOSITION FOR LIP MAKE-UP CHANEL PARFUMS BEAUTE (FR) 2012-03-22 WO disclosed
US-20090182046-A1 Cosmetic Compositions Containing Esters Based on 2-Propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2009-07-16 US disclosed