SCHEMBL9862388

SCHEMBL9862388

OCOC(CO)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.53
TRPA1 O75762 3/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
F9 P00740 1/20 0.37
F10 P00742 1/20 0.37
PLAU P00749 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
LMNA P02545 1/20 0.37
HTR2A P28223 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BLM P54132 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL23868114 0.83 GSR (0.50) GSRTRPA1LMNAL3MBTL1
SCHEMBL7090878 0.83 TRPA1 (0.44) GSRTRPA1CYP1A2CYP2D6PKM
SCHEMBL5550370 0.83 GSR (0.50) GSRTRPA1CYP1A2CYP2D6SMN1; SMN2
SCHEMBL11593971 0.83 LMNA (0.48) GSRTRPA1LMNA
SCHEMBL5831230 0.83 GSR (0.50) GSRTRPA1LMNAL3MBTL1
SCHEMBL4426985 0.81 GSR (0.57) GSRTRPA1CYP2D6F9F10
SCHEMBL5418286 0.81 CHRNB2 (0.53) GSRCYP1A2CYP2D6CHRNB2CHRNA4
SCHEMBL14945152 0.81 CHRNB2 (0.53) GSRCYP1A2CYP2D6CHRNB2CHRNA4
SCHEMBL11506322 0.81 EPHX1 (0.43) GSRTRPA1CYP1A2PKMSLC6A4
SCHEMBL5902915 0.80 GSR (0.52) GSRTRPA1CYP1A2CYP2D6PKM

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
US-4990331-A Synthetic hormones APIS INDUSTRIES LTD. (CA) 1991-02-05 US disclosed