SCHEMBL8837563

SCHEMBL8837563

O=C(NS(=O)(=O)c1ccccc1C(=O)OC1COC1)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.39
MMP2 P08253 2/20 0.36
MMP13 P45452 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
PTPRF P10586 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL14561204 0.76 ELANE (0.45) ALDH1A1MMP2MMP13CA1CA2
SCHEMBL8837565 0.76 PTPN2 (0.42) ALDH1A1CA1CA2CYP1A2CYP2C9
SCHEMBL8837627 0.76 CA1 (0.56) ALDH1A1CA1CA2CYP1A2CYP2C9
Oxasulfuron SCHEMBL29374284 0.73 GAA (0.41) ALDH1A1NPC1GAAALOX15MAPT
Oxasulfuron SCHEMBL66884 0.73 GAA (0.41) ALDH1A1NPC1GAAALOX15MAPT
Oxasulfuron SCHEMBL7185002 0.73 GAA (0.41) ALDH1A1NPC1GAAALOX15MAPT
Oxasulfuron SCHEMBL20291777 0.73 GAA (0.40) ALDH1A1NPC1GAAALOX15MAPT
Oxasulfuron SCHEMBL1997907 0.73 GAA (0.40) ALDH1A1NPC1GAAALOX15MAPT
Oxasulfuron SCHEMBL21221253 0.73 GAA (0.40) ALDH1A1NPC1GAAALOX15MAPT
Oxasulfuron SCHEMBL20573129 0.73 GAA (0.40) ALDH1A1NPC1GAAALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5597779-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1997-01-28 US disclosed
US-5552368-A Sulfonylureas CIBA-GEIGY CORPORATION (US) 1996-09-03 US disclosed
US-5519148-A CHEMICAL INTERMEDIATES FOR HERBICIDES CIBA-GEIGY CORPORATION (US) 1996-05-21 US disclosed
US-5489695-A PREEMERGENCE, POSTEMERGENCE HERBICIDES CIBA-GEIGY CORPORATION (US) 1996-02-06 US disclosed
US-5412107-A Phenylsulfonylchloride intermediates useful for the preparation of herbicidally active sulfonylureas CIBA-GEIGY CORPORATION (US) 1995-05-02 US disclosed
US-5286709-A Sulfonylureas CIBA-GEIGY CORPORATION (US) 1994-02-15 US disclosed
US-5209771-A Herbicides CIBA-GEIGY CORPORATION (US) 1993-05-11 US disclosed