SCHEMBL3871053

SCHEMBL3871053

CCCCC(C(=O)O)C(C)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.45
MAPK1 P28482 1/20 0.45
ACE2 Q9BYF1 1/20 0.40
GPR84 Q9NQS5 3/20 0.39
FFAR1 O14842 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.38
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
CA1 P00915 3/20 0.37
PKM P14618 1/20 0.37
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL5562349 0.89 CA2 (0.42) CA2MAPK1ACE2GPR84FFAR1
SCHEMBL7800234 0.85 GABRP (0.41) GPR84FFAR1ALDH1A1PPARDTDP1
Ammonia Solution, Strong SCHEMBL27732674 0.82 CA2 (0.44) CA2MAPK1ACE2GPR84FFAR1
SCHEMBL9815330 0.82 ACE2 (0.47) ACE2GPR84FFAR1ALDH1A1MAPT
SCHEMBL1496626 0.82 ACE2 (0.47) ACE2GPR84FFAR1ALDH1A1MAPT
SCHEMBL6941920 0.82 ACE2 (0.47) ACE2GPR84FFAR1ALDH1A1MAPT
SCHEMBL3825901 0.81 TDP1 (0.41) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL2356530 0.81 CA2 (0.42) CA2MAPK1ACE2GPR84FFAR1
SCHEMBL18050407 0.80 CA2 (0.39) CA2MAPK1ACE2GPR84FFAR1
SCHEMBL152526 0.80 CA2 (0.58) CA2MAPK1ACE2GPR84FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116513-B1 PROCESS FOR PREPARING A SURFACE MODIFIED INDIUM TIN OXIDE AGGLOMERATE, THE AGGLOMERATE OBTAINED BY THE SAID PROCESS AND A COATING COMPOSITION COMPRISING SAID AGGLOMERATE. EVONIK DEGUSSA GMBH (DE) 2017-07-05 EP disclosed
EP-2116513-A1 Indium-tin-oxohydrate-, Indium-Tin-oxide-Powder and Dispersion thereof Evonik Degussa GmbH (DE) 2009-11-11 EP disclosed