SCHEMBL9129883

SCHEMBL9129883

CCCC(=O)OC(C)OC(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
KLK7 P49862 7/20 0.44
HPGD P15428 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
UTS2R Q9UKP6 3/20 0.43
ALOX15 P16050 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL27657887 0.82 MAPT (0.48) MAPTL3MBTL1KMT2AALDH1A1KLK7
SCHEMBL1884728 0.77 KMT2A (0.35) KMT2AALDH1A1SMN1; SMN2MEN1UTS2R
SCHEMBL1884773 0.77 MAPT (0.40) MAPTL3MBTL1KMT2AALDH1A1HPGD
SCHEMBL1884726 0.77 MAPT (0.40) MAPTL3MBTL1KMT2AALDH1A1HPGD
SCHEMBL9335595 0.77 HPGD (0.67) MAPTKMT2AALDH1A1HPGDNPC1
SCHEMBL2231578 0.75 UTS2R (0.39) KMT2AUTS2R
SCHEMBL2231583 0.75 KMT2A (0.41) KMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL2231576 0.74 GABBR2 (0.44) MAPTKMT2ARAB9AMEN1UTS2R
SCHEMBL637841 0.74 KMT2A (0.40) KMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL637840 0.74 UTS2R (0.36) UTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5401868-A Sulfiding and esterification to form chemical intermediates LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUCTIONSAKTIESELSKAB) (DK) 1995-03-28 US disclosed
EP-0541550-B1 NEW INTERMEDIATES, THEIR PRODUCTION AND USE LEO PHARM PROD LTD (DK) 1994-09-07 EP disclosed
EP-0541550-A1 NEW INTERMEDIATES, THEIR PRODUCTION AND USE. LEO PHARM PROD LTD (DK) 1993-05-19 EP disclosed
WO-1991010639-A1 NEW INTERMEDIATES, THEIR PRODUCTION AND USE Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1991-07-25 WO disclosed