SCHEMBL9265342

SCHEMBL9265342

O=C(CCC1CCCC1)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 4/20 0.60
L3MBTL1 Q9Y468 6/20 0.53
TDP1 Q9NUW8 4/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL4065004 0.98 KLK7 (0.59) KLK7L3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL7495579 0.97 KLK7 (0.57) KLK7L3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL2232191 0.94 ALDH1A1 (0.56) KLK7L3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL29307410 0.88 ALDH1A1 (0.50) KLK7L3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL16417273 0.87 KLK7 (0.51) KLK7L3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL7060349 0.87 ITGB3 (0.49) KLK7L3MBTL1ALDH1A1MAPK1
SCHEMBL11832289 0.85 ALDH1A1 (0.48) KLK7L3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL305021 0.84 ALDH1A1 (0.56) L3MBTL1TDP1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL20023110 0.84 MEN1 (0.50) KLK7TDP1ALDH1A1MAPK1LMNA
SCHEMBL31061934 0.83 ALDH1A1 (0.49) KLK7L3MBTL1ALDH1A1MAPK1MEN1

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-0641327-A1 NOVEL ALPHA-MANNOSIDASE INHIBITORS MERRELL PHARMACEUTICALS INC. (US) 1995-03-08 EP disclosed
WO-1993005781-A1 NOVEL ALPHA-MANNOSIDASE INHIBITORS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-04-01 WO disclosed