SCHEMBL7765070

SCHEMBL7765070

NC(=O)CCC(=O)N(CCc1ccccc1)CCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.62
MEN1 O00255 1/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
KMT2A Q03164 1/20 0.62
ALOX5 P09917 5/20 0.54
CA12 O43570 5/20 0.49
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA4 P22748 4/20 0.49
MC5R P33032 1/20 0.47
MC3R P41968 1/20 0.47
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC1 Q13547 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47

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
SCHEMBL4203011 0.86 MEN1 (0.66) TDP1MEN1NPC1RAB9AKMT2A
SCHEMBL22023393 0.80 TDP1 (0.72) TDP1MEN1NPC1RAB9AKMT2A
SCHEMBL1953503 0.80 TDP1 (0.61) TDP1MEN1NPC1RAB9AKMT2A
SCHEMBL7444522 0.79 MAPT (0.68) TDP1MEN1NPC1RAB9AKMT2A
SCHEMBL7859 0.79 HDAC1 (0.72) TDP1NPC1RAB9AKMT2AALOX5
Hydrochloric Acid SCHEMBL23062929 0.77 HDAC1 (0.69) TDP1NPC1RAB9AKMT2AALOX5
Hydrochloric Acid SCHEMBL30882658 0.77 HDAC1 (0.69) TDP1NPC1RAB9AKMT2AALOX5
Hydrochloric Acid SCHEMBL30882401 0.77 HDAC1 (0.69) TDP1NPC1RAB9AKMT2AALOX5
SCHEMBL1285919 0.77 MAPT (0.70) TDP1NPC1RAB9AALOX5HDAC3
Water SCHEMBL28210512 0.77 HDAC1 (0.69) TDP1NPC1RAB9AKMT2AALOX5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed