SCHEMBL19851438

SCHEMBL19851438

CC(C)CC(C(=O)Nc1ccc(S(=O)(=O)O)cc1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.56
CA2 P00918 13/20 0.56
CA7 P43166 11/20 0.56
CA14 Q9ULX7 11/20 0.56
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
PKM P14618 1/20 0.47
ADAM17 P78536 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
PLAU P00749 1/20 0.44
HPN P05981 1/20 0.44

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
SCHEMBL19851436 0.83 LMNA (0.55) CA1CA2CA7CA14CA12
SCHEMBL14228409 0.81 MAPT (0.52) CA1CA2CA7CA14CA12
SCHEMBL19851437 0.80 MAPK1 (0.43) CA1CA2CA7CA14CA12
SCHEMBL21982488 0.80 ALDH1A1 (0.53) ALDH1A1LMNA
SCHEMBL20402703 0.80 ALDH1A1 (0.53) ALDH1A1LMNA
SCHEMBL21169021 0.78 TRPV1 (0.44) CA1CA2CA7CA14
SCHEMBL13566682 0.77 CA1 (0.75) CA1CA2CA7CA14CA12
SCHEMBL10869900 0.76 CA1 (0.54) CA1CA2CA7CA14CA12
SCHEMBL10797653 0.76 CA1 (0.60) CA1CA2CA7CA14CA12
SCHEMBL10049715 0.75 CA1 (0.53) CA1CA2CA7CA14CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180036689-A1 FUNCTIONAL POLYMER MEMBRANE, METHOD FOR MANUFACTURING SAME, COMPOSITION FOR FORMING FUNCTIONAL POLYMER MEMBRANE, SEPARATION MEMBRANE MODULE, AND ION-EXCHANGE DEVICE FUJIFILM CORPORATION (JP) 2018-02-08 US disclosed