SCHEMBL9050682

SCHEMBL9050682

CCCCCCCCCCCCCCCC(=O)C(=S)C(C)CCCCCCCCCCCCCC

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
CES2 O00748 4/20 0.54
CES1 P23141 4/20 0.54
FFAR4 Q5NUL3 1/20 0.50
FFAR1 O14842 1/20 0.50
GPR84 Q9NQS5 1/20 0.47
ACE2 Q9BYF1 1/20 0.46
NFKB1 P19838 1/20 0.44
FAAH O00519 2/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL8680600 0.81 CA1 (0.59) CA1CES2CES1FFAR4FFAR1
SCHEMBL7628357 0.81 CA1 (0.59) CA1CES2CES1FFAR4FFAR1
SCHEMBL11115354 0.76 CA1 (0.57) CA1CES2FFAR4FFAR1ACE2
SCHEMBL9073848 0.76 CA1 (0.57) CA1CES2FFAR4FFAR1ACE2
SCHEMBL10904396 0.76 CA1 (0.57) CA1CES2FFAR4FFAR1ACE2
SCHEMBL10904395 0.76 CA1 (0.57) CA1CES2FFAR4FFAR1ACE2
SCHEMBL8798464 0.76 CA1 (0.61) CA1FFAR4FFAR1GPR84ACE2
SCHEMBL8799892 0.76 CA1 (0.61) CA1FFAR4FFAR1GPR84ACE2
SCHEMBL8800896 0.76 CA1 (0.61) CA1FFAR4FFAR1GPR84ACE2
SCHEMBL15022175 0.74 CA1 (0.95) CA1FFAR4FFAR1GPR84ACE2

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-1996040694-A1 CARBONOTHIOATE PHOSPHOLIPID ANALOGS AS SUBSTRATE OF PHOSPHOLIPASES AND LIPASES LA JOLLA PHARMACEUTICAL COMPANY (US) 1996-12-19 WO disclosed