SCHEMBL18993124

SCHEMBL18993124

CCOP(=O)(Cc1cc(C)cc(Oc2ccc(C)cn2)c1)OCC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.33
MAPK1 P28482 1/20 0.33
GCK P35557 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
P2RY14 Q15391 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CCNT1 O60563 2/20 0.32
CDK9 P50750 2/20 0.32
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32

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
SCHEMBL1011533 0.87 MAPK1 (0.42) KDM4ERAB9AHTTMAPK1ALDH1A1
SCHEMBL14810517 0.87 MAPK1 (0.51) MAPK1
SCHEMBL18993123 0.76 NPC1 (0.43) KDM4ENPC1RAB9AGAAMAPT
SCHEMBL18993122 0.76 KDM4E (0.43) KDM4ENPC1RAB9AGAAMAPT
SCHEMBL1012147 0.76 MAPK1 (0.61) MAPTMAPK1
SCHEMBL27233649 0.75 ALDH1A1 (0.43) KDM4ENPC1RAB9AGAAMAPT
SCHEMBL1012278 0.74 MAPK1 (0.50) MAPTMAPK1L3MBTL1
SCHEMBL30903848 0.74 MAPK1 (0.41) KDM4EHTTMAPK1ALDH1A1L3MBTL1
SCHEMBL27233677 0.74 MAPK1 (0.44) KDM4ERAB9AGAAMAPTHTT
SCHEMBL1037249 0.74 FAAH (0.41) KDM4EHTTMAPK1ALDH1A1L3MBTL1

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-9682953-B2 Amide compounds, compositions and applications thereof ADVINUS THERAPEUTICS LIMITED (IN) 2017-06-20 US disclosed