SCHEMBL9198623

SCHEMBL9198623

CCCCCC/N=C(/C)C(CCC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.44
FFAR1 O14842 1/20 0.44
NOS2 P35228 5/20 0.44
MAPT P10636 1/20 0.43
LCK P06239 1/20 0.43
PPARD Q03181 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NOS1 P29475 5/20 0.41
NOS3 P29474 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
DDAH1 O94760 2/20 0.41
ACE2 Q9BYF1 1/20 0.41
BLM P54132 1/20 0.40
CYP2C19 P33261 1/20 0.39

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
SCHEMBL9198633 1.00 GPR84 (0.44) GPR84FFAR1NOS2MAPTLCK
SCHEMBL9192902 0.98 NOS2 (0.42) GPR84FFAR1NOS2MAPTLCK
SCHEMBL9192914 0.98 NOS2 (0.42) GPR84FFAR1NOS2MAPTLCK
SCHEMBL9196426 0.93 GPR84 (0.44) GPR84FFAR1NOS2MAPTLCK
SCHEMBL9196419 0.93 GPR84 (0.44) GPR84FFAR1NOS2MAPTLCK
SCHEMBL9195392 0.93 GPR84 (0.48) GPR84FFAR1NOS2MAPTLCK
SCHEMBL9195400 0.93 GPR84 (0.48) GPR84FFAR1NOS2MAPTLCK
SCHEMBL9200784 0.93 DDAH1 (0.42) GPR84FFAR1NOS2MAPTLCK
SCHEMBL9200780 0.93 DDAH1 (0.42) GPR84FFAR1NOS2MAPTLCK
SCHEMBL9199299 0.91 CA2 (0.42) GPR84FFAR1NOS2MAPTLCK

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
EP-0503634-B1 Novel terpene derivatives and process for preparing the same EISAI CO LTD (JP) 1995-12-27 EP claimed