SCHEMBL7689608

SCHEMBL7689608

CNCCCCCCCCOc1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.59
PPARG P37231 2/20 0.56
HDAC1 Q13547 1/20 0.56
HTR1B P28222 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SLC6A4 P31645 1/20 0.54
HRH3 Q9Y5N1 7/20 0.52
DRD3 P35462 1/20 0.50
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
AGXT P21549 1/20 0.49
HTR1D P28221 1/20 0.49

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
SCHEMBL9665513 0.98 L3MBTL1 (0.61) L3MBTL1PPARGHDAC1HTR1BKDM4E
SCHEMBL16902858 0.86 TDP1 (0.73) PPARGHDAC1KDM4EMAPK1TDP1
SCHEMBL16902870 0.86 TDP1 (0.73) PPARGHDAC1KDM4EMAPK1TDP1
SCHEMBL16902865 0.86 TDP1 (0.73) PPARGHDAC1KDM4EMAPK1TDP1
SCHEMBL16902856 0.86 TDP1 (0.73) PPARGHDAC1KDM4EMAPK1TDP1
SCHEMBL16902859 0.86 TDP1 (0.73) PPARGHDAC1KDM4EMAPK1TDP1
SCHEMBL16902850 0.86 TDP1 (0.73) PPARGHDAC1KDM4EMAPK1TDP1
SCHEMBL16902857 0.86 TDP1 (0.73) PPARGHDAC1KDM4EMAPK1TDP1
SCHEMBL16902871 0.86 TDP1 (0.73) PPARGHDAC1KDM4EMAPK1TDP1
SCHEMBL7695787 0.84 L3MBTL1 (0.51) L3MBTL1PPARGHDAC1HTR1BKDM4E

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
WO-2002024619-A1 AMINE COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 2002-03-28 WO disclosed