SCHEMBL9197331

SCHEMBL9197331

O=C(Cl)c1cccc(C(=O)Cl)c1S(=O)(=O)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
ALOX15 P16050 3/20 0.45
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 2/20 0.34
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 1/20 0.33
BCHE P06276 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 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
SCHEMBL27294789 0.88 ALDH1A1 (0.47) ALDH1A1ALOX15TSHRCES2CES1
SCHEMBL11373594 0.82 ALOX15 (0.57) ALDH1A1ALOX15HSD17B10TDP1TSHR
SCHEMBL3645882 0.76 ALDH1A1 (0.48) ALDH1A1ALOX15HSD17B10TDP1TSHR
SCHEMBL28253353 0.75 ALOX15 (0.33) ALDH1A1ALOX15TSHRCA1CA2
SCHEMBL628149 0.75 ALDH1A1 (0.42) ALDH1A1ALOX15HSD17B10TDP1TSHR
SCHEMBL27799698 0.75 ALDH1A1 (0.39) ALDH1A1ALOX15TSHRCES2CES1
SCHEMBL11199579 0.75 ALDH1A1 (0.47) ALDH1A1ALOX15TSHRCES2CES1
SCHEMBL10986337 0.75 CA1 (0.51) ALDH1A1ALOX15HSD17B10TSHRCA1
SCHEMBL12569842 0.74 ALDH1A1 (0.38) ALDH1A1ALOX15HSD17B10TSHRCA1
SCHEMBL27955539 0.74 ALDH1A1 (0.38) ALDH1A1ALOX15HSD17B10TDP1TSHR

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-0496496-B1 Membrane dehydration process TEXACO DEVELOPMENT CORP (US) 1995-12-27 EP disclosed
EP-0532687-A1 SEMIPERMEABLE COMPOSITE MEMBRANE. TNO (NL) 1993-03-24 EP disclosed
US-5152901-A Highly crosslinked, chlorine-resistant, supported thin film comprising a piperazine monomer; separation of alkaline salts and alkali salts under pressure IONICS, INCORPORATED (US) 1992-10-06 US disclosed