SCHEMBL9733219

SCHEMBL9733219

CC1(C)Oc2ccc(C#N)cc2C(Oc2ccc(=O)[nH]n2)=C1CO

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PGR P06401 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ABCC9 O60706 3/20 0.31
ABCB1 P08183 3/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MALT1 Q9UDY8 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
SCHEMBL9372031 0.83 KDM4E (0.33) LMNAKDM4ENPC1RAB9APGR
SCHEMBL9737456 0.83 ALDH1A1 (0.34) LMNAKDM4ENPC1RAB9AALDH1A1
SCHEMBL9737646 0.80 SCN8A (0.33) PGRCYP3A4ALOX15ABCC9ABCB1
SCHEMBL9735525 0.79 KDM4E (0.33) LMNAKDM4ENPC1RAB9AALDH1A1
SCHEMBL8090676 0.77 PDE4A (0.35) LMNAKDM4ENPC1RAB9AALDH1A1
SCHEMBL9737221 0.77 MALT1 (0.35) LMNAPTGDR2CYP3A4ALOX15ABCC9
SCHEMBL9736173 0.74 LMNA (0.32) LMNAKDM4ENPC1RAB9AALDH1A1
SCHEMBL9369702 0.68 ABCC9 (0.35) LMNAABCC9ABCB1
SCHEMBL7327762 0.67 ABCC9 (0.54) LMNAKDM4ECYP3A4ABCC9ABCB1
SCHEMBL9735910 0.66 ABCC9 (0.42) LMNAKDM4ECYP3A4ABCC9ABCB1

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-5143924-A OXODIHYDROPYRIDYL CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-09-01 US disclosed