SCHEMBL19600824

SCHEMBL19600824

Cc1cc(CCOC2CCCCO2)c(C)s1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RX3 P56373 3/20 0.35
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PTPN1 P18031 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
SCHEMBL13209028 0.78 KDM4C (0.47) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL30076909 0.76 L3MBTL1 (0.52) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL21126507 0.75 KDM4C (0.43) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL14228817 0.71 KDM4C (0.49) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL23219868 0.71 L3MBTL1 (0.57) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL79317 0.71 MEN1 (0.42) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL12963637 0.71 NPC1 (0.47) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL8836758 0.71 NPC1 (0.47) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL14065688 0.70 KDM4C (0.51) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL26066468 0.70 KDM4C (0.45) KDM4CNPC1RAB9AL3MBTL1MEN1

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-20170331043-A1 CONJUGATED POLYMERS INNOVATIONLAB GMBH (DE) 2017-11-16 US disclosed