SCHEMBL9682834

SCHEMBL9682834

CC1(C)C=C(c2ccc[nH]c2=O)c2cc(C#N)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.39
ABCB1 P08183 11/20 0.37
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MCL1 Q07820 1/20 0.35
DAO P14920 1/20 0.35
ABCC9 O60706 2/20 0.34
MALT1 Q9UDY8 1/20 0.34
OPRD1 P41143 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34

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
SCHEMBL9680365 0.82 PBRM1 (0.35) MALT1
SCHEMBL9682041 0.82 KDM4E (0.42) DAO
SCHEMBL9680412 0.82 KMT2A (0.34) MALT1
SCHEMBL9596467 0.81 ALDH1A1 (0.36) ABCB1PDE4APDE4BPDE4CPDE4D
SCHEMBL9682845 0.79 PDGFRB (0.41) DAOMALT1
SCHEMBL9682813 0.78 PDE4A (0.37) ABCB1PDE4APDE4BPDE4CPDE4D
SCHEMBL9779797 0.78 PDPK1 (0.38) PDPK1ABCB1MCL1DAOABCC9
SCHEMBL9525977 0.78 OPRD1 (0.37) ABCB1PDE4APDE4BPDE4CPDE4D
SCHEMBL9603010 0.77 PDE4A (0.34) ABCB1PDE4APDE4BPDE4CPDE4D
SCHEMBL9680947 0.76 PDPK1 (0.43) PDPK1MCL1OPRD1

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