SCHEMBL9450366

SCHEMBL9450366

CCCCC(CCCC)c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CA1 P00915 11/20 0.54
CA7 P43166 7/20 0.54
CA9 Q16790 6/20 0.54
CA12 O43570 5/20 0.54
TSHR P16473 1/20 0.54
NR1I2 O75469 1/20 0.54
CA4 P22748 1/20 0.54
CA14 Q9ULX7 1/20 0.51
CA5A P35218 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
ALDH1A1 P00352 1/20 0.47
CA13 Q8N1Q1 1/20 0.46

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
SCHEMBL38651153 0.95 NR1I2 (0.60) CA2SMN1; SMN2CA1CA7CA9
SCHEMBL31010761 0.93 NR1I2 (0.63) CA2SMN1; SMN2CA1CA7CA9
SCHEMBL28184549 0.85 NR1I2 (0.55) CA2SMN1; SMN2CA1CA7CA9
SCHEMBL20372807 0.82 NR1I2 (0.54) CA2SMN1; SMN2CA1CA7CA9
SCHEMBL20032091 0.81 CA2 (0.55) CA2SMN1; SMN2CA1CA7CA9
SCHEMBL16076634 0.79 NR1I2 (0.59) CA2CA1CA7CA9TSHR
SCHEMBL2472773 0.79 CA2 (0.52) CA2SMN1; SMN2CA1CA7CA9
SCHEMBL19627843 0.78 NR1I2 (0.61) CA2CA1CA7CA9NR1I2
SCHEMBL16324576 0.78 NR1I2 (0.85) CA2CA1CA7CA9TSHR
SCHEMBL14801970 0.78 NR1I2 (0.61) CA2CA1CA7CA9NR1I2

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
WO-2023143938-A1 A LIQUID DISHWASH COMPOSITION UNILEVER IP HOLDINGS B.V. (NL) 2023-08-03 WO disclosed
EP-0548313-A1 MAGENTA IMAGE-DYE COUPLERS OF IMPROVED HUE. EASTMAN KODAK CO (US) 1993-06-30 EP disclosed
WO-1993002392-A1 MAGENTA IMAGE-DYE COUPLERS OF IMPROVED HUE EASTMAN KODAK COMPANY (US) 1993-02-04 WO disclosed