SCHEMBL18173540

SCHEMBL18173540

CCCCCCCCCCC(Br)C=C(C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.55
PPARD Q03181 1/20 0.55
ZDHHC20 Q5W0Z9 1/20 0.55
ZDHHC2 Q9UIJ5 1/20 0.55
GPR84 Q9NQS5 7/20 0.47
FFAR1 O14842 2/20 0.47
ZDHHC7 Q9NXF8 1/20 0.46
MAPT P10636 1/20 0.46
FAAH O00519 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
EP300 Q09472 1/20 0.41
CA2 P00918 1/20 0.40
THRB P10828 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 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
SCHEMBL11024665 0.85 LCK (0.50) LCKPPARDZDHHC20ZDHHC2GPR84
SCHEMBL2350390 0.85 LCK (0.50) LCKPPARDZDHHC20ZDHHC2GPR84
SCHEMBL27513963 0.85 LCK (0.50) LCKPPARDZDHHC20ZDHHC2GPR84
SCHEMBL1702508 0.85 LCK (0.50) LCKPPARDZDHHC20ZDHHC2GPR84
SCHEMBL11661583 0.85 LCK (0.50) LCKPPARDZDHHC20ZDHHC2GPR84
SCHEMBL11659422 0.85 LCK (0.50) LCKPPARDZDHHC20ZDHHC2GPR84
SCHEMBL26624434 0.85 LCK (0.50) LCKPPARDZDHHC20ZDHHC2GPR84
SCHEMBL7747945 0.83 GPR84 (0.50) LCKPPARDZDHHC20ZDHHC2GPR84
SCHEMBL16059073 0.83 LCK (0.48) LCKPPARDZDHHC20ZDHHC2GPR84
SCHEMBL7636971 0.83 GPR84 (0.50) LCKPPARDZDHHC20ZDHHC2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016172436-A1 POLYCATIONIC AMPHIPHILES AND POLYMERS THEREOF AS ANTIMICROBIAL AGENTS AND METHODS USING SAME TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-10-27 WO disclosed