SCHEMBL4201284

SCHEMBL4201284

CCC(O)NCCCCCNC(O)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
EPHX1 P07099 8/20 0.38
LMNA P02545 4/20 0.35
TSHR P16473 2/20 0.35
ADRA1A P35348 2/20 0.35
MEN1 O00255 1/20 0.35
XBP1 P17861 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ABCB11 O95342 1/20 0.35
EGFR P00533 1/20 0.35
ESR1 P03372 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
FYN P06241 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL4205138 1.00 ALDH1A1 (0.39) ALDH1A1KDM4EEPHX1LMNATSHR
SCHEMBL5790232 0.97 ALDH1A1 (0.36) ALDH1A1KDM4EEPHX1LMNATSHR
SCHEMBL16390227 0.95 EPHX1 (0.46) ALDH1A1KDM4EEPHX1LMNATSHR
SCHEMBL2236239 0.95 EPHX1 (0.46) ALDH1A1KDM4EEPHX1LMNATSHR
SCHEMBL16389976 0.95 EPHX1 (0.46) ALDH1A1KDM4EEPHX1LMNATSHR
SCHEMBL16390218 0.95 EPHX1 (0.46) ALDH1A1KDM4EEPHX1LMNATSHR
SCHEMBL16390287 0.95 EPHX1 (0.46) ALDH1A1KDM4EEPHX1LMNATSHR
SCHEMBL16638649 0.95 EPHX1 (0.46) ALDH1A1KDM4EEPHX1LMNATSHR
SCHEMBL16390572 0.95 EPHX1 (0.46) ALDH1A1KDM4EEPHX1LMNATSHR
SCHEMBL9016915 0.95 EPHX1 (0.46) ALDH1A1KDM4EEPHX1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828354-B1 HYDROCARBYL SUCCINIC ACID AND HYDROCARBYLSUCCINIC ACID DERIVATIVES AS FRICTION MODIFIERS BASF SE (DE) 2017-09-06 EP disclosed
US-20090235576-A1 HYDROCARBYL SUCCINIC ACID AND HYDROCARBYLSUCCINIC ACID DERIVATIVES AS FRICTION MODIFIERS BASF AKTIENGESELLSCHAFT (DE) 2009-09-24 US disclosed
WO-2007039488-A1 HYDROXYALKYL-SUBSTITUTED AMINOALKYLAMIDES OF FATTY ACIDS AS FRICTION MODIFYING AGENTS BASF SE (DE) 2007-04-12 WO disclosed
EP-1669433-A1 Hydrocarbyl succinic acid and hydrocarbylsuccinic acid derivatives as friction modifiers BASF AKTIENGESELLSCHAFT (DE) 2006-06-14 EP disclosed