SCHEMBL7467674

SCHEMBL7467674

Cc1ccc(S(=O)(=O)NC2C=CC=CC2O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MMP2 P08253 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
MMP1 P03956 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
ALDH1A1 P00352 5/20 0.49
TSHR P16473 2/20 0.49
CYP3A4 P08684 2/20 0.49
FFAR4 Q5NUL3 1/20 0.47
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.45
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
KMT2A Q03164 3/20 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
SCHEMBL7467668 1.00 GAA (0.52) GAASMN1; SMN2MMP2CA1CA2
SCHEMBL17205811 0.71 ALDH1A1 (0.63) GAASMN1; SMN2MMP2CA1CA2
SCHEMBL8664452 0.71 ALDH1A1 (0.63) GAASMN1; SMN2MMP2CA1CA2
SCHEMBL17206041 0.71 ALDH1A1 (0.63) GAASMN1; SMN2MMP2CA1CA2
SCHEMBL17205724 0.70 ALDH1A1 (0.71) GAASMN1; SMN2MMP2CA1CA2
SCHEMBL13812157 0.70 ALDH1A1 (0.71) GAASMN1; SMN2MMP2CA1CA2
SCHEMBL30960 0.69 GAA (1.00) GAASMN1; SMN2MMP2CA1CA2
SCHEMBL2372546 0.69 ALDH1A1 (0.83) GAASMN1; SMN2ALDH1A1TSHRCYP3A4
SCHEMBL10375728 0.68 ALDH1A1 (0.80) GAASMN1; SMN2ALDH1A1TSHRCYP3A4
SCHEMBL29204879 0.68 ALDH1A1 (0.50) GAASMN1; SMN2MMP2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765336-B1 SYNTHESIS OF CONDURITOL EPOXIDES AND AZIRIDINES AND METHODS OF USING SUCH TO SYNTHESIZE HIGHER DISACCHARIDES VIRGINIA TECH INTELL PROP (US) 2002-05-02 EP claimed
US-5834606-A COUPLING GENENCOR INTERNATIONAL, INC. (US) 1998-11-10 US claimed
EP-0765336-A1 SYNTHESIS OF CONDURITOL EPOXIDES AND AZIRIDINES AND METHODS OF USING SUCH TO SYNTHESIZE HIGHER DISACCHARIDES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 1997-04-02 EP claimed
WO-1995035303-A1 SYNTHESIS OF CONDURITOL EPOXIDES AND AZIRIDINES AND METHODS OF USING SUCH TO SYNTHESIZE HIGHER DISACCHARIDES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 1995-12-28 WO claimed
EP-0765336-B1 SYNTHESIS OF CONDURITOL EPOXIDES AND AZIRIDINES AND METHODS OF USING SUCH TO SYNTHESIZE HIGHER DISACCHARIDES VIRGINIA TECH INTELL PROP (US) 2002-05-02 EP disclosed
WO-1995035303-A1 SYNTHESIS OF CONDURITOL EPOXIDES AND AZIRIDINES AND METHODS OF USING SUCH TO SYNTHESIZE HIGHER DISACCHARIDES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 1995-12-28 WO disclosed