SCHEMBL14288507

SCHEMBL14288507

CCCCOc1ccc2c(c1)C(=O)c1ccccc1-2

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.72
KMT2A Q03164 3/20 0.72
L3MBTL1 Q9Y468 3/20 0.72
NPC1 O15118 2/20 0.72
ALDH1A1 P00352 2/20 0.72
RAB9A P51151 2/20 0.72
MEN1 O00255 1/20 0.72
GAA P10253 1/20 0.72
CHRNA7 P36544 1/20 0.60
PTPN1 P18031 1/20 0.59
POLB P06746 1/20 0.58
DNMT1 P26358 1/20 0.58
RAD52 P43351 1/20 0.58
PTPN11 Q06124 1/20 0.52
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL18015983 0.98 MAPT (0.69) MAPTKMT2AL3MBTL1NPC1ALDH1A1
SCHEMBL538615 0.95 MAPT (0.67) MAPTKMT2AL3MBTL1NPC1ALDH1A1
SCHEMBL23960774 0.94 MAPT (0.64) MAPTKMT2AL3MBTL1NPC1ALDH1A1
SCHEMBL23051433 0.92 MAPT (0.60) MAPTKMT2AL3MBTL1NPC1ALDH1A1
SCHEMBL538564 0.91 MAPT (0.62) MAPTKMT2AL3MBTL1NPC1ALDH1A1
SCHEMBL5076182 0.88 KMT2A (0.58) MAPTKMT2AL3MBTL1NPC1ALDH1A1
SCHEMBL918880 0.88 MAPT (0.69) MAPTKMT2AL3MBTL1NPC1ALDH1A1
SCHEMBL7619627 0.88 MAPT (0.69) MAPTKMT2AL3MBTL1NPC1ALDH1A1
SCHEMBL538924 0.88 MAPT (0.74) MAPTKMT2AL3MBTL1NPC1ALDH1A1
SCHEMBL31003494 0.88 MAPT (0.74) MAPTKMT2AL3MBTL1NPC1ALDH1A1

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
US-7320993-B1 Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents ASTELLAS DEUTSCHLAND GMBH (DE) 2008-01-22 US disclosed
US-7320993-B1 Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents ASTELLAS DEUTSCHLAND GMBH (DE) 2008-01-22 US disclosed