SCHEMBL7976202

SCHEMBL7976202

COc1cc(C(C)=O)ccc1OC(=S)N(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 6/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
BACE1 P56817 1/20 0.55
TSHR P16473 2/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
MAPT P10636 5/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
TPMT P51580 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
SCHEMBL20223086 0.94 ALDH1A1 (0.55) L3MBTL1ALDH1A1CYP2C9CYP2C19HPGD
SCHEMBL5449774 0.83 PDE4A (0.47) L3MBTL1ALDH1A1CYP2C9CYP2C19HPGD
SCHEMBL3546502 0.81 MAPT (0.63) ALDH1A1CYP2C9CYP2C19HPGDHSD17B10
SCHEMBL30037363 0.81 MAPT (0.63) ALDH1A1CYP2C9CYP2C19HPGDHSD17B10
SCHEMBL2997461 0.80 TSHR (0.77) L3MBTL1ALDH1A1CYP2C9CYP2C19TSHR
SCHEMBL29594225 0.80 MAPT (0.58) L3MBTL1ALDH1A1CYP2C9CYP2C19HPGD
SCHEMBL21385340 0.80 MAPT (0.58) L3MBTL1ALDH1A1CYP2C9CYP2C19HPGD
SCHEMBL29399077 0.80 TSHR (0.73) L3MBTL1ALDH1A1CYP2C9CYP2C19TSHR
SCHEMBL76834 0.80 TSHR (0.73) L3MBTL1ALDH1A1CYP2C9CYP2C19TSHR
SCHEMBL27753902 0.80 TSHR (0.73) L3MBTL1ALDH1A1CYP2C9CYP2C19TSHR

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-6291530-B1 Aryl-substituted acrylamides with Leukotriene B4 (LTB-4) receptor antagonist activity NOVARTIS AG (CH) 2001-09-18 US disclosed
EP-0942903-A1 ARYL-SUBSTITUTED ACRYLAMIDES WITH LEUKOTRIENE B4 (LTB-4) RECEPTOR ANTAGONIST ACTIVITY Novartis AG (CH) 1999-09-22 EP disclosed
WO-1998013347-A1 ARYL-SUBSTITUTED ACRYLAMIDES WITH LEUKOTRIENE B4 (LTB-4) RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 1998-04-02 WO disclosed
US-4178442-A ANTIANGOROUS ACTIVITY DELALANDE S. A. (FR) 1979-12-11 US disclosed