SCHEMBL9216951

SCHEMBL9216951

CCCCCCCCCCCCCCCCCCC(Oc1ccccc1)S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CNR2 P34972 1/20 0.41
TP53 P04637 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
CSNK1E P49674 1/20 0.39
NAAA Q02083 3/20 0.39

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
SCHEMBL9221213 1.00 CTRC (0.46) CTRCALDH1A1CNR2TP53ZDHHC2
SCHEMBL9449525 1.00 CTRC (0.46) CTRCALDH1A1CNR2TP53ZDHHC2
SCHEMBL5833438 0.98 CTRC (0.46) CTRCALDH1A1CNR2TP53ZDHHC2
SCHEMBL3840813 0.92 CTRC (0.43) CTRCALDH1A1CNR2TP53ZDHHC2
SCHEMBL2126465 0.90 CTRC (0.42) CTRCALDH1A1CNR2TP53ZDHHC2
SCHEMBL2128763 0.90 CTRC (0.42) CTRCALDH1A1CNR2TP53ZDHHC2
SCHEMBL2128284 0.89 CTRC (0.43) CTRCALDH1A1CNR2ZDHHC2PRSS1
SCHEMBL5704304 0.87 SMN1; SMN2 (0.42) ALDH1A1
SCHEMBL2126384 0.87 CTRC (0.41) CTRCALDH1A1CNR2TP53ZDHHC2
SCHEMBL6011914 0.86 SMN1; SMN2 (0.41) ALDH1A1

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