SCHEMBL8423503

SCHEMBL8423503

CCCCC(C(=O)O)C(C)CCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRM1 P11229 1/20 0.44
AKR1A1 P14550 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PKM P14618 1/20 0.44
ACE2 Q9BYF1 1/20 0.42
GPR84 Q9NQS5 3/20 0.42

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
SCHEMBL4062626 0.94 ALDH1A1 (0.54) CA2MAPK1ALDH1A1CHRM1AKR1A1
SCHEMBL8421695 0.93 CA2 (0.50) CA2MAPK1ALDH1A1MEN1KMT2A
SCHEMBL9119084 0.92 GPR84 (0.53) ALDH1A1ACE2GPR84FFAR1MAPT
SCHEMBL20564450 0.92 GPR84 (0.53) ALDH1A1ACE2GPR84FFAR1MAPT
SCHEMBL10660895 0.92 GPR84 (0.53) ALDH1A1ACE2GPR84FFAR1MAPT
SCHEMBL11049311 0.92 GPR84 (0.53) ALDH1A1ACE2GPR84FFAR1MAPT
SCHEMBL28570001 0.91 CA2 (0.48) CA2MAPK1ALDH1A1MEN1KMT2A
SCHEMBL27610235 0.89 ALDH1A1 (0.54) CA2MAPK1ALDH1A1PKMACE2
SCHEMBL11805982 0.89 CHRM1 (0.50) CA2MAPK1ALDH1A1CHRM1AKR1A1
SCHEMBL8419701 0.88 GPR84 (0.53) CA2MAPK1ALDH1A1ACE2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639047-B1 HERBICIDAL COMPOSITIONS KVK AGRO AS (DK) 1999-10-06 EP disclosed
EP-0639047-A1 HERBICIDAL COMPOSITIONS KVK AGRO A/S (DK) 1995-02-22 EP disclosed
EP-0637910-A1 STABILIZED HERBICIDE COMPOSITIONS. KVK AGRO AS (DK) 1995-02-15 EP disclosed
WO-1992009195-A1 HERBICIDAL COMPOSITIONS KVK AGRO A/S (DK) 1992-06-11 WO disclosed
WO-1992009197-A1 STABILIZED HERBICIDE COMPOSITIONS KVK AGRO A/S (DK) 1992-06-11 WO disclosed