SCHEMBL13625647

SCHEMBL13625647

O=C(CCC1=CCCCC1)N1CCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NAAA Q02083 1/20 0.45
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ATM Q13315 1/20 0.41

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
SCHEMBL13625663 0.80 LMNA (0.49) NPC1ALDH1A1LMNAHPGDTAAR1
SCHEMBL988376 0.78 TAAR1 (0.53) NPC1ALDH1A1LMNAHPGDTAAR1
SCHEMBL27893993 0.78 HPGD (0.49) NPC1ALDH1A1HPGDTAAR1MAPT
SCHEMBL11615931 0.77 TAAR1 (0.51) NPC1ALDH1A1LMNAHPGDTAAR1
SCHEMBL13374714 0.75 HPGD (0.47) NPC1ALDH1A1HPGDTAAR1MAPT
SCHEMBL2220979 0.75 ALDH1A1 (0.49) NPC1ALDH1A1LMNAHPGDTAAR1
SCHEMBL3944420 0.75 HPGD (0.47) NPC1ALDH1A1HPGDTAAR1MAPT
SCHEMBL4422302 0.73 NPC1 (0.46) NPC1TDP1NAAAATM
SCHEMBL10448778 0.72 SMN1; SMN2 (0.46) NPC1TDP1ALDH1A1LMNAHPGD
SCHEMBL9623345 0.72 HPGD (0.46) NPC1ALDH1A1LMNAHPGDTAAR1

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-2009136352-A1 ANTI-ANGIOGENIC COMPOUNDS COVX TECHNOLOGIES IRELAND, LTD. (IE) 2009-11-12 WO disclosed