SCHEMBL9198657

SCHEMBL9198657

CCCCCCN=C(C)C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ACE2 Q9BYF1 1/20 0.42
GPR84 Q9NQS5 7/20 0.41
FFAR1 O14842 2/20 0.41
NOS2 P35228 3/20 0.41
PPARD Q03181 7/20 0.40
MAPT P10636 1/20 0.40
LCK P06239 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
TSHR P16473 5/20 0.39
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
DDAH1 O94760 1/20 0.38
PPARG P37231 6/20 0.38
PPARA Q07869 6/20 0.38
HDAC11 Q96DB2 5/20 0.38

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
SCHEMBL9198654 1.00 MEN1 (0.44) MEN1KMT2AACE2GPR84FFAR1
SCHEMBL9194621 0.98 MEN1 (0.41) MEN1KMT2AACE2GPR84FFAR1
SCHEMBL9194614 0.98 MEN1 (0.41) MEN1KMT2AACE2GPR84FFAR1
SCHEMBL9201009 0.92 DDAH1 (0.40) MEN1KMT2AACE2GPR84FFAR1
SCHEMBL9201005 0.92 DDAH1 (0.40) MEN1KMT2AACE2GPR84FFAR1
SCHEMBL29049840 0.82 ACE2 (0.56) MEN1KMT2AACE2GPR84FFAR1
SCHEMBL9193607 0.81 MEN1 (0.44) MEN1KMT2AACE2GPR84FFAR1
SCHEMBL9193598 0.81 MEN1 (0.44) MEN1KMT2AACE2GPR84FFAR1
SCHEMBL9198633 0.80 GPR84 (0.44) MEN1KMT2AACE2GPR84FFAR1
SCHEMBL9196419 0.80 GPR84 (0.44) MEN1KMT2AACE2GPR84FFAR1

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