SCHEMBL9862015

SCHEMBL9862015

CCOC(=O)OOCCOC(=O)C=COOC(C)(C)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 5/20 0.34
AKR1B10 O60218 2/20 0.34
AKR1B1 P15121 2/20 0.34
LMNA P02545 3/20 0.33
MDM2 Q00987 2/20 0.33
POLB P06746 2/20 0.33
MDM4 O15151 1/20 0.33
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAOB P27338 1/20 0.32
NPC1 O15118 1/20 0.31

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
SCHEMBL9862022 0.87 LMNA (0.34) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL9862043 0.87 MAPK1 (0.39) MAPK1MAPTLMNAMDM2POLB
SCHEMBL2772376 0.84 MAPK1 (0.43) HCAR2MAPK1MAPTAKR1B10AKR1B1
SCHEMBL10498335 0.82 HCAR2 (0.33) HCAR2ALDH1A1
SCHEMBL10435073 0.81 MAPK1 (0.42) HCAR2MAPK1AKR1B10AKR1B1LMNA
SCHEMBL9862102 0.80 HCAR2 (0.32) HCAR2ALDH1A1
SCHEMBL28678971 0.79 MAPK1 (0.52) MAPK1POLBALDH1A1CHRM2CHRM4
SCHEMBL8525638 0.78 HCAR2 (0.37) HCAR2MAPK1MAPTAKR1B10AKR1B1
SCHEMBL9242885 0.77 MAPK1 (0.43) HCAR2MAPK1MAPTAKR1B10AKR1B1
SCHEMBL7692322 0.76 HCAR2 (0.35) HCAR2MAPK1MAPTAKR1B10AKR1B1

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-0423767-A2 Thermoplastic resin composition and method for preparing the same NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-04-24 EP disclosed