SCHEMBL9861992

SCHEMBL9861992

CCOC(=O)OOC(C)OC(=O)C(C)=COOC(C)(C)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
KCNH2 Q12809 1/20 0.30

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
Propane SCHEMBL10713290 0.82 MAPK1 (0.37) MAPK1ALDH1A1KCNH2
SCHEMBL9862009 0.82 MAPT (0.35) MAPK1MEN1KMT2APOLBALDH1A1
SCHEMBL9723290 0.81 MAPK1 (0.38) MAPK1ALDH1A1
SCHEMBL7692611 0.81 MAPK1 (0.40) MAPK1KMT2AALDH1A1KCNH2
SCHEMBL8526018 0.79 MAPK1 (0.36) MAPK1ALDH1A1
SCHEMBL10453977 0.79
SCHEMBL7691676 0.79 MAPK1 (0.38) MAPK1ALDH1A1
Propane SCHEMBL10714983 0.78 MAPK1 (0.36) MAPK1ALDH1A1KCNH2
SCHEMBL28991761 0.78 MAPK1 (0.39) MAPK1ALDH1A1KCNH2
SCHEMBL9847995 0.78 LMNA (0.37) MEN1KMT2AALDH1A1

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