SCHEMBL8764128

SCHEMBL8764128

CCCCCCCCCCc1cc(S(=O)(=O)O)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.47
LIPG Q9Y5X9 1/20 0.42
MEN1 O00255 4/20 0.41
HTT P42858 4/20 0.41
KMT2A Q03164 4/20 0.41
CA2 P00918 3/20 0.41
TYR P14679 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX5 P09917 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SERPINE1 P05121 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
ATM Q13315 3/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL8953285 1.00 S1PR3 (0.47) S1PR3LIPGMEN1HTTKMT2A
SCHEMBL7541781 1.00 S1PR3 (0.47) S1PR3LIPGMEN1HTTKMT2A
SCHEMBL6677625 1.00 S1PR3 (0.47) S1PR3LIPGMEN1HTTKMT2A
SCHEMBL8578052 1.00 S1PR3 (0.47) S1PR3LIPGMEN1HTTKMT2A
SCHEMBL7071455 1.00 S1PR3 (0.47) S1PR3LIPGMEN1HTTKMT2A
SCHEMBL451722 1.00 S1PR3 (0.47) S1PR3LIPGMEN1HTTKMT2A
SCHEMBL11092349 1.00 S1PR3 (0.47) S1PR3LIPGMEN1HTTKMT2A
SCHEMBL8367731 1.00 S1PR3 (0.47) S1PR3LIPGMEN1HTTKMT2A
Ammonia Solution, Strong SCHEMBL27676688 0.98 S1PR3 (0.46) S1PR3LIPGMEN1HTTKMT2A
Ammonia Solution, Strong SCHEMBL28014909 0.98 S1PR3 (0.46) S1PR3LIPGMEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0147207-B2 DISINFECTANTS Albright & Wilson Limited (GB) 1993-03-10 EP claimed
EP-0147207-B1 DISINFECTANTS Albright & Wilson Limited (GB) 1988-02-10 EP claimed
EP-0147207-A1 Disinfectants Albright & Wilson Limited (GB) 1985-07-03 EP claimed
EP-0562040-B1 ARYL MONOSULFONATE COLLECTORS USEFUL IN THE FLOTATION OF MINERALS DOW CHEMICAL CO (US) 1997-07-23 EP disclosed