SCHEMBL9828047

SCHEMBL9828047

O=C(Cl)c1cc(C(=O)Cl)c(C(=O)Cl)c(S(=O)(=O)O)c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31

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
SCHEMBL890520 0.76 CDC25B (0.34) ALDH1A1CASP1CASP7HSD17B10TDP1
SCHEMBL7932106 0.74 CDC25B (0.33) ALDH1A1CASP1CASP7HSD17B10TDP1
SCHEMBL8747597 0.72 ALDH1A1 (0.42) ALDH1A1
SCHEMBL11785317 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL28023399 0.71 CDC25B (0.36) ALDH1A1CASP1CASP7HSD17B10TDP1
SCHEMBL18221958 0.68 CDC25A (0.38) ALDH1A1CASP1HSD17B10TDP1
SCHEMBL28634701 0.68 ALDH1A1 (0.36) ALDH1A1
SCHEMBL11795570 0.68 HSP90AA1 (0.32)
SCHEMBL8747639 0.68 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9831583 0.67 LCK (0.64) ALDH1A1HSD17B10TDP1LCKFYN

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-0236592-B1 BRANCHED POLYCARBONATES CONTAINING SINGLE-RING AROMATIC COMPOUNDS MONTEDIPE S.r.l. (IT) 1991-10-16 EP claimed
US-4786707-A Branched polycarbonate derived from single-ring aromatic compound ENICHEM TECNORESINE S.P.A. (IT) 1988-11-22 US claimed
EP-0236592-A2 Branched polycarbonates containing single-ring aromatic compounds MONTEDIPE S.r.l. (IT) 1987-09-16 EP claimed
EP-0236592-B1 BRANCHED POLYCARBONATES CONTAINING SINGLE-RING AROMATIC COMPOUNDS MONTEDIPE S.r.l. (IT) 1991-10-16 EP disclosed
US-4786707-A Branched polycarbonate derived from single-ring aromatic compound ENICHEM TECNORESINE S.P.A. (IT) 1988-11-22 US disclosed
EP-0236592-A2 Branched polycarbonates containing single-ring aromatic compounds MONTEDIPE S.r.l. (IT) 1987-09-16 EP disclosed