SCHEMBL7080552

SCHEMBL7080552

CCCCCCCC[C@@H](C)C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.80
GPR84 Q9NQS5 7/20 0.61
CA1 P00915 2/20 0.61
FFAR1 O14842 2/20 0.61
MAPT P10636 1/20 0.59
LCK P06239 1/20 0.59
PPARD Q03181 1/20 0.59
ZDHHC20 Q5W0Z9 1/20 0.59
ZDHHC2 Q9UIJ5 1/20 0.59
FFAR4 Q5NUL3 1/20 0.55
BLM P54132 1/20 0.54
LTA4H P09960 1/20 0.53
FAAH O00519 1/20 0.51

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
SCHEMBL6657056 1.00 ACE2 (0.80) ACE2GPR84CA1FFAR1MAPT
SCHEMBL545070 1.00 ACE2 (0.80) ACE2GPR84CA1FFAR1MAPT
Dodecane SCHEMBL14691319 1.00 ACE2 (0.80) ACE2GPR84CA1FFAR1MAPT
SCHEMBL194398 1.00 ACE2 (0.80) ACE2GPR84CA1FFAR1MAPT
SCHEMBL247871 1.00 ACE2 (0.80) ACE2GPR84CA1FFAR1MAPT
SCHEMBL22023412 1.00 ACE2 (0.80) ACE2GPR84CA1FFAR1MAPT
SCHEMBL7146627 1.00 ACE2 (0.80) ACE2GPR84CA1FFAR1MAPT
SCHEMBL2054033 1.00 ACE2 (0.80) ACE2GPR84CA1FFAR1MAPT
SCHEMBL277986 1.00 ACE2 (0.80) ACE2GPR84CA1FFAR1MAPT
SCHEMBL1115799 1.00 ACE2 (0.80) ACE2GPR84CA1FFAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1002100-B1 METHOD FOR PRODUCING AND IDENTIFYING NEW HYDROLASES HAVING IMPROVED PROPERTIES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2003-07-02 EP disclosed
EP-1002100-A2 METHOD FOR PRODUCING AND IDENTIFYING NEW HYDROLASES HAVING IMPROVED PROPERTIES Studiengesellschaft Kohle mbH (DE) 2000-05-24 EP disclosed
WO-1999005288-A2 METHOD FOR PRODUCING AND IDENTIFYING NEW HYDROLASES HAVING IMPROVED PROPERTIES STUDIENGESELLSCHAFT KOHLE MBH (DE) 1999-02-04 WO disclosed