SCHEMBL1170969

SCHEMBL1170969

CC(CS)C(=O)O.CC(CS)C(=O)O.CCCCCCCC(O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.58
GPR84 Q9NQS5 8/20 0.53
FFAR1 O14842 2/20 0.53
FFAR4 Q5NUL3 1/20 0.49
MAPT P10636 1/20 0.47
LCK P06239 1/20 0.47
PPARD Q03181 1/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
FAAH O00519 1/20 0.46
CA1 P00915 2/20 0.44
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41

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
SCHEMBL690144 0.85 ENPEP (0.44) ACE2GPR84
SCHEMBL1171884 0.83 GPR84 (0.59) ACE2GPR84FFAR1FFAR4MAPT
Lactic Acid SCHEMBL15169703 0.83 GPR84 (0.63) ACE2GPR84FFAR1FFAR4MAPT
SCHEMBL11785936 0.81 ACE2 (0.71) ACE2GPR84FFAR1FFAR4MAPT
SCHEMBL4651838 0.81 GPR84 (0.59) ACE2GPR84FFAR1FFAR4MAPT
Lactic Acid SCHEMBL10794173 0.81 GPR84 (0.59) ACE2GPR84FFAR1FFAR4MAPT
SCHEMBL27849583 0.81 ACE2 (0.77) ACE2GPR84FFAR1FFAR4MAPT
SCHEMBL15648675 0.81 GPR84 (0.59) ACE2GPR84FFAR1FFAR4MAPT
Bicarbonate SCHEMBL28559081 0.80 GPR84 (0.64) ACE2GPR84FFAR1FFAR4MAPT
SCHEMBL342229 0.79 GPR84 (0.63) ACE2GPR84FFAR1FFAR4MAPT

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-1983017-B1 CURABLE COMPOSITION CONTAINING THIOL COMPOUND SHOWA DENKO KK (JP) 2012-04-18 EP disclosed
US-7888399-B2 Curable composition containing thiol compound SHOWA DENKO K.K. (JP) 2011-02-15 US disclosed
US-20090023831-A1 Curable Composition Containing Thiol Compound SHOWA DENKO K.K. (JP) 2009-01-22 US disclosed
EP-1983017-A1 CURABLE COMPOSITION CONTAINING THIOL COMPOUND Showa Denko K.K. (JP) 2008-10-22 EP disclosed