SCHEMBL10694592

SCHEMBL10694592

Cc1c(N(C)C)cc(O)c(O)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.40
SELP P16109 1/20 0.40
SELE P16581 1/20 0.40
APP P05067 7/20 0.37
ACHE P22303 1/20 0.35
EP300 Q09472 1/20 0.33
KAT2B Q92831 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
ESR1 P03372 1/20 0.33
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MCL1 Q07820 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
POLB P06746 2/20 0.30
GAA P10253 2/20 0.30
MAPT P10636 2/20 0.30
KMT2A Q03164 2/20 0.30
APEX1 P27695 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
SCHEMBL19730635 0.80 SELL (0.38) SELLSELPSELEAPPEP300
SCHEMBL21729845 0.73 APP (0.45) APPEP300KAT2BKAT8ESR1
SCHEMBL8762568 0.71 EP300 (0.47) APPEP300KAT2BKAT8ESR1
SCHEMBL2220478 0.71 SELL (0.50) SELLSELPSELEACHECYP2C9
SCHEMBL4028857 0.70 ACHE (0.39) APPACHEEP300KAT2BKAT8
SCHEMBL440101 0.70 MCL1 (0.33) APPMCL1ALDH1A1
SCHEMBL145247 0.69 SELL (0.48) SELLSELPSELEAPPACHE
Methane SCHEMBL2219191 0.69 SELL (0.48) SELLSELPSELEACHECYP2C9
SCHEMBL28242686 0.69 APP (0.47) APPEP300KAT2BKAT8ESR1
SCHEMBL15398482 0.68 CA1 (0.37) ACHEESR1KDM4EALDH1A1GAA

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-0254097-A2 Catalyst mixtures for polyisocyanurate foam THE CELOTEX CORPORATION (US) 1988-01-27 EP disclosed