SCHEMBL6903460

SCHEMBL6903460

CCC(C(=O)NO)N(CCC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.53
MMP13 P45452 10/20 0.52
MMP2 P08253 7/20 0.52
MMP9 P14780 7/20 0.52
MMP8 P22894 5/20 0.52
MMP3 P08254 2/20 0.52
MMP14 P50281 2/20 0.52
MMP16 P51512 2/20 0.52
ADAM17 P78536 2/20 0.52
BMP1 P13497 2/20 0.45
MMP7 P09237 1/20 0.45
MMP12 P39900 1/20 0.45
LTA4H P09960 1/20 0.45
MEP1B Q16820 1/20 0.43
FFAR1 O14842 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
NR3C1 P04150 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
SCHEMBL5243658 0.81 MMP1 (0.56) MMP1MMP13MMP2MMP9MMP8
SCHEMBL1965951 0.79 MMP1 (0.53) MMP1MMP13MMP2MMP9MMP8
SCHEMBL231737 0.74 MMP1 (0.55) MMP1MMP13MMP2MMP9MMP8
SCHEMBL8003329 0.73 MMP2 (0.53) MMP1MMP13MMP2MMP9MMP8
SCHEMBL26770077 0.73 ESR1 (0.49) MMP1MMP13MMP2MMP9MMP8
SCHEMBL27726010 0.73 MMP1 (0.45) MMP1MMP13MMP2MMP9MMP8
SCHEMBL27517932 0.73 SMN1; SMN2 (0.48) MMP1MMP13MMP2MMP9MMP3
SCHEMBL8012383 0.72 BMP1 (0.53) MMP1MMP13MMP2MMP9MMP8
SCHEMBL8435001 0.71 MMP2 (0.72) MMP1MMP13MMP2MMP9MMP8
SCHEMBL7537813 0.71 MMP9 (0.62) MMP1MMP13MMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233948-A4 STABLE POLYMORPH OF N-(3-ETHYNYLPHENYLAMINO)-6,7-BIS(2-METHOXYETHOXY)-4-QUINAZOLINAMINE HYDROCHLORIDE, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF OSI PHARM INC (US) 2004-01-28 EP disclosed
EP-1233948-A1 STABLE POLYMORPH OF N-(3-ETHYNYLPHENYLAMINO)-6,7-BIS(2-METHOXYETHOXY)-4-QUINAZOLINAMINE HYDROCHLORIDE, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF OSI Pharmaceuticals, Inc. (US) 2002-08-28 EP disclosed
WO-2001034574-A1 STABLE POLYMORPH OF N-(3-ETHYNYLPHENYLAMINO)-6,7-BIS(2-METHOXYETHOXY)-4-QUINAZOLINAMINE HYDROCHLORIDE, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF OSI PHARMACEUTICALS, INC. (US) 2001-05-17 WO disclosed