SCHEMBL9219685

SCHEMBL9219685

CCCCCCCCCCCCCCCCCCOc1cc(S(=O)(=O)O)ccc1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.65
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
WDR5 P61964 3/20 0.42
ESR1 P03372 2/20 0.42
CYP19A1 P11511 4/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL14528304 1.00 S1PR3 (0.65) S1PR3LMNAMAPK1HTTTSHR
SCHEMBL14542266 1.00 S1PR3 (0.65) S1PR3LMNAMAPK1HTTTSHR
SCHEMBL14541876 1.00 S1PR3 (0.65) S1PR3LMNAMAPK1HTTTSHR
SCHEMBL4539139 0.88 S1PR3 (0.69) S1PR3LMNAHTTALDH1A1THRA
SCHEMBL4537948 0.88 S1PR3 (0.69) S1PR3LMNAHTTALDH1A1THRA
SCHEMBL4538004 0.88 S1PR3 (0.69) S1PR3LMNAHTTALDH1A1THRA
SCHEMBL4536045 0.88 S1PR3 (0.69) S1PR3LMNAHTTALDH1A1THRA
SCHEMBL4530113 0.88 S1PR3 (0.69) S1PR3LMNAHTTALDH1A1THRA
SCHEMBL4532999 0.88 S1PR3 (0.69) S1PR3LMNAHTTALDH1A1THRA
SCHEMBL4533583 0.88 S1PR3 (0.69) S1PR3LMNAHTTALDH1A1THRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995003891-A1 ARYL ETHER MONOSULFONATE COLLECTORS USEFUL IN THE FLOTATION OF MINERALS THE DOW CHEMICAL COMPANY (US) 1995-02-09 WO claimed
WO-1995003891-A1 ARYL ETHER MONOSULFONATE COLLECTORS USEFUL IN THE FLOTATION OF MINERALS THE DOW CHEMICAL COMPANY (US) 1995-02-09 WO disclosed