SCHEMBL9490004

SCHEMBL9490004

CCOc1[c]c(OCC)cc(-c2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.54
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MCL1 Q07820 2/20 0.49
MAOB P27338 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MAOA P21397 1/20 0.49
RAB9A P51151 1/20 0.49
ENPP3 O14638 1/20 0.48
ENPP1 P22413 1/20 0.48

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
SCHEMBL11293541 0.81 LMNA (0.67) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL197017 0.81 LMNA (0.72) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL9489996 0.80 GSTP1 (0.50) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL28554319 0.79 GSTP1 (0.55) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL12567822 0.79 GSTP1 (0.55) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL23483029 0.79 LMNA (0.69) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL1096817 0.79 LMNA (0.69) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL22206787 0.79 GSTP1 (0.58) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL12806827 0.78 RXRA (0.60) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL2090546 0.78 ALOX5 (0.53) GSTP1LMNACYP1A2PTGS1SLC6A2

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-5219937-A In presence of phosphite ALLIEDSIGNAL INC. (US) 1993-06-15 US disclosed