SCHEMBL7925508

SCHEMBL7925508

CCCCCCCCCC(=O)OC(=O)C(Cl)(Cl)Cl.[Ni]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.50
LMNA P02545 3/20 0.47
PAM P19021 2/20 0.46
TSHR P16473 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
DNM1 Q05193 1/20 0.42
NAAA Q02083 1/20 0.42
GPR84 Q9NQS5 2/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
TLR2 O60603 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6563223 1.00 DGKA (0.50) DGKALMNAPAMTSHRALDH1A1
SCHEMBL6563206 1.00 DGKA (0.50) DGKALMNAPAMTSHRALDH1A1
SCHEMBL11143611 0.98 DGKA (0.47) DGKALMNAPAMTSHRALDH1A1
SCHEMBL6566737 0.98 DGKA (0.52) DGKALMNAPAMTSHRALDH1A1
SCHEMBL8343500 0.93 DGKA (0.50) DGKALMNAPAMTSHRALDH1A1
SCHEMBL8343499 0.93 DGKA (0.50) DGKALMNAPAMTSHRALDH1A1
SCHEMBL28106605 0.90 ALDH1A1 (0.44) DGKALMNAPAMTSHRALDH1A1
SCHEMBL6567086 0.81 DGKA (0.50) DGKALMNAPAMTSHRALDH1A1
SCHEMBL6565265 0.81 DGKA (0.50) DGKALMNAPAMTSHRALDH1A1
SCHEMBL6563288 0.81 FAAH (0.55) DGKALMNAPAMCES2CES1

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-6222077-B1 Dimerized alcohol compositions and biodegradible surfactants made therefrom having cold water detergency SHELL OIL COMPANY 2001-04-24 US disclosed
US-5780694-A DIMERIZING AN OLEFIN FEED OF C6-C20 OLEFINS IN THE PRESENCE OF A HOMOGENEOUS CATALYST FOLLOWED BY HYDROFORMYLATION TO OBTAIN BRANCHED ALCOHOLS AS INTERMEDIATES FOR ANIONIC SULFATE AND NONIONIC SURFACTANTS SHELL OIL COMPANY (US) 1998-07-14 US disclosed
US-4398049-A HYDROCARBYLALUMINUM HALIDE AND MIXED CARBOXYLIC SALT OF NICKEL INSTITUT FRANCAIS DU PETROLE (FR) 1983-08-09 US disclosed
US-4366087-A HYDROCARBYLALUMINUM HALIDE WITH A NICKEL COMPOUND INSTITUT FRANCAIS DU PETROLE (FR) 1982-12-28 US disclosed
US-4316851-A Nickel compounds INSTITUT FRANCAIS DU PETROLE (FR) 1982-02-23 US disclosed