SCHEMBL9862034

SCHEMBL9862034

C=C(OOC(C)(C)c1ccccc1)C(=O)OOC(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.36
PIN1 Q13526 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD11B1 P28845 1/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
MMP8 P22894 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL28678971 0.86 MAPK1 (0.52) MAPK1ALDH1A1POLBMEN1KMT2A
SCHEMBL9862009 0.85 MAPT (0.35) MAPK1ALDH1A1MAPTPOLBMEN1
Propane SCHEMBL10714828 0.84 MAPK1 (0.38) MAPK1ALDH1A1MAPTKMT2AALOX15
SCHEMBL10482056 0.83 MAPK1 (0.36) MAPK1ALDH1A1MAPTALOX15
SCHEMBL10455289 0.82 MAPK1 (0.41) MAPK1ALDH1A1MAPTKMT2AALOX15
SCHEMBL28678972 0.80 MAPK1 (0.48) MAPK1ALDH1A1POLBMEN1KMT2A
SCHEMBL5597022 0.78 ALDH1A1 (0.40) ALDH1A1TSHRLMNA
SCHEMBL9862043 0.77 MAPK1 (0.39) MAPK1ALDH1A1MAPTPOLBMEN1
SCHEMBL9847962 0.76 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL21841081 0.75 ALDH1A1 (0.50) MAPK1ALDH1A1MAPTPOLBMEN1

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