SCHEMBL8630776

SCHEMBL8630776

CCOC(=O)c1cc(Cl)sc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
MAPK1 P28482 2/20 0.49
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
BAZ2B Q9UIF8 1/20 0.46
BAZ2A Q9UIF9 1/20 0.46
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA9 Q16790 4/20 0.45
CA7 P43166 3/20 0.45
CA14 Q9ULX7 3/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HSD17B10 Q99714 3/20 0.43
ALOX15 P16050 2/20 0.43

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
SCHEMBL8630782 0.86 DAO (0.53) GAAMAPK1TSHRNPSR1CYP4F2
SCHEMBL29790201 0.83 CYP4F2 (0.51) GAAMAPK1TSHRNPSR1CYP4F2
SCHEMBL5123339 0.83 GAA (0.67) GAAMAPK1TSHRNPSR1CYP4F2
SCHEMBL26281515 0.83 GAA (0.46) GAAMAPK1TSHRNPSR1CYP4F2
SCHEMBL167136 0.81 MAPT (0.44) GAACA12CA1CA2CA9
SCHEMBL16863717 0.80 GAA (0.50) GAAMAPK1TSHRCA12CA1
SCHEMBL8478442 0.79 CA1 (0.53) GAAMAPK1TSHRNPSR1CYP4F2
SCHEMBL29359967 0.79 GAA (0.49) GAAMAPK1TSHRCA12CA1
SCHEMBL20269597 0.79 GAA (0.49) GAAMAPK1TSHRCYP4F2CYP4A11
SCHEMBL168837 0.79 GAA (0.71) GAAMAPK1TSHRNPSR1ALDH1A1

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-5840917-A ADMINISTERING TO MAMMAL TO ERADICATE HELICOBACTER PYLORI TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-24 US disclosed
WO-1998042347-A1 PHARMACEUTICAL COMPOSITION CONTAINING A PHOSPHORYLAMIDE AND AN AYNTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-01 WO disclosed
EP-0852498-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-07-15 EP disclosed
WO-1997011705-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-03 WO disclosed