SCHEMBL9680947

SCHEMBL9680947

COC(=O)c1ccc2c(c1)C(c1ccc[nH]c1=O)=CC(C)(C)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.43
RARA P10276 2/20 0.41
RARB P10826 2/20 0.41
RARG P13631 2/20 0.41
ALOX5 P09917 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
PDK2 Q15119 2/20 0.37
RAB9A P51151 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
MCL1 Q07820 1/20 0.36
NPC1 O15118 1/20 0.36
PARP1 P09874 1/20 0.36
KDM4E B2RXH2 2/20 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
SCHEMBL9680374 0.89 ALDH1A1 (0.42) RARARARBRARGL3MBTL1KMT2A
SCHEMBL12365911 0.82 RARA (0.43) RARARARBRARGALOX5OPRD1
SCHEMBL12365916 0.81 NPC1 (0.44) RARARARBRARGALOX5OPRD1
SCHEMBL2263334 0.81 RARA (0.43) RARARARBRARGALOX5OPRD1
SCHEMBL9680331 0.80 RARA (0.40) RARARARBRARGALOX5OPRD1
SCHEMBL12365140 0.79 RARA (0.55) RARARARBRARGALOX5OPRD1
SCHEMBL9682041 0.79 KDM4E (0.42) RARARARBRARGKMT2AMEN1
SCHEMBL9680365 0.79 PBRM1 (0.35) RARARARBRARGKMT2AMEN1
SCHEMBL9680412 0.79 KMT2A (0.34) RARARARBRARGKMT2AMEN1
SCHEMBL12366037 0.79 RARB (0.43) RARARARBRARGALOX5OPRD1

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-5112839-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-05-12 US disclosed