SCHEMBL9834524

SCHEMBL9834524

CCCCCCCCCCCCCCC(CCC)OC(=O)C(Br)CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.51
ZDHHC7 Q9NXF8 1/20 0.49
LCK P06239 1/20 0.49
PPARD Q03181 1/20 0.49
ZDHHC20 Q5W0Z9 1/20 0.49
ZDHHC2 Q9UIJ5 1/20 0.49
FAAH O00519 1/20 0.43
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 1/20 0.42
MAPK1 P28482 4/20 0.40
GMNN O75496 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
CYP1A2 P05177 3/20 0.40
MEN1 O00255 2/20 0.40
HSP90AA1 P07900 2/20 0.40
BLM P54132 2/20 0.40
KMT2A Q03164 2/20 0.40
NR1H4 Q96RI1 2/20 0.40

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
SCHEMBL9833428 1.00 GPR84 (0.51) GPR84ZDHHC7LCKPPARDZDHHC20
SCHEMBL2823597 0.86 ZDHHC7 (0.58) GPR84ZDHHC7LCKPPARDZDHHC20
SCHEMBL2823595 0.86 ZDHHC7 (0.58) GPR84ZDHHC7LCKPPARDZDHHC20
SCHEMBL2823598 0.86 ZDHHC7 (0.58) GPR84ZDHHC7LCKPPARDZDHHC20
SCHEMBL29272710 0.84 ZDHHC7 (0.68) GPR84ZDHHC7LCKPPARDZDHHC20
SCHEMBL20398338 0.83 GPR84 (0.49) GPR84FAAHFFAR1FFAR4MAPK1
SCHEMBL20398330 0.83 GPR84 (0.49) GPR84FAAHFFAR1FFAR4MAPK1
SCHEMBL23361766 0.80 GPR84 (0.56) GPR84ZDHHC7FFAR1FFAR4MAPK1
SCHEMBL9784116 0.80 GPR84 (0.56) GPR84ZDHHC7FFAR1FFAR4MAPK1
SCHEMBL6374127 0.80 GPR84 (0.56) GPR84ZDHHC7FFAR1FFAR4MAPK1

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-0223916-B1 MULTIFUNCTIONAL THIADIAZOLE LUBRICANT ADDITIVES ATOCHEM NORTH AMERICA, INC. (a Pennsylvania corp.) (US) 1991-09-11 EP disclosed
US-4990652-A Alpha-brominated half esters or amides of succinic acid ATOCHEM NORTH AMERICA, INC. (US) 1991-02-05 US disclosed
US-4902804-A IMPROVED EXTREME PRESSURE, ANTIWEAR, ANTIOXIDANT AND ANTICORROSION PROPERTIES PENNWALT CORPORATION (US) 1990-02-20 US disclosed
EP-0223916-A1 Multifunctional thiadiazole lubricant additives ATOCHEM NORTH AMERICA, INC. (a Pennsylvania corp.) (US) 1987-06-03 EP disclosed