SCHEMBL3937698

SCHEMBL3937698

CCC(c1ccc(OS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)C(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.40
ITGA1 P56199 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ALPL P05186 1/20 0.38
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
HTT P42858 2/20 0.38
ADAMTS4 O75173 2/20 0.38
AR P10275 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
PSMB5 P28074 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL3937692 0.74 PSMB5 (0.47) ALDH1A1MAPTKDM4EGAAALPL
SCHEMBL6549235 0.73 ALPL (0.49) ALDH1A1MAPTMAPK1GAAITGA1
SCHEMBL3937706 0.72 ALDH1A1 (0.41) ALDH1A1MAPTMAPK1GAAITGA1
SCHEMBL3937703 0.72 ALDH1A1 (0.41) ALDH1A1MAPTMAPK1GAAITGA1
SCHEMBL3936338 0.71 MMP2 (0.56) ALDH1A1MAPTKDM4EMAPK1GAA
SCHEMBL3935028 0.67 SLC1A3 (0.59) ALDH1A1MAPTKDM4EGAASMN1; SMN2
SCHEMBL7065889 0.67 KDM4E (0.77) ALDH1A1MAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL3925673 0.66 MEN1 (0.43) MAPTMAPK1SMN1; SMN2ADAMTS4SLC1A3
SCHEMBL2528064 0.66 ALDH1A1 (0.39) ALDH1A1MAPTGAAITGA1ALPL
SCHEMBL7754836 0.66 ESR1 (0.51) MAPTCA1CA2ADAMTS4AR

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
EP-1076557-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-21 EP claimed
WO-1999055324-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-04 WO claimed
EP-1691199-B1 METHOD OF PREDICTING SPOT FORMATION ON THE SKIN WITH THE USE OF SPOT SITE-ACCELERATING GENES AS INDICATION AND METHOD OF SCREENING INHIBITOR FOR SPOT FORMATION ON THE SKIN SHISEIDO CO LTD (JP) 2009-04-01 EP disclosed
US-20070249915-A1 Inhibitors SHISEIDO COMPANY, LTD. (JP) 2007-10-25 US disclosed
EP-1691199-A1 METHOD OF PREDICTING SPOT FORMATION ON THE SKIN WITH THE USE OF SPOT SITE-ACCELERATING GENES AS INDICATION AND METHOD OF SCREENING INHIBITOR FOR SPOT FORMATION ON THE SKIN SHISEIDO COMPANY LIMITED (JP) 2006-08-16 EP disclosed
EP-1076557-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-21 EP disclosed
WO-1999055324-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-04 WO disclosed