SCHEMBL9503181

SCHEMBL9503181

CC(C)(C)CC(C)(C)N1C(=O)c2ccccc2S1(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 15/20 0.51
CA2 P00918 6/20 0.51
CA12 O43570 15/20 0.51
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ELANE P08246 2/20 0.47
LMNA P02545 1/20 0.47
CA1 P00915 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
SCHEMBL8550940 0.82 CA9 (0.59) CA9CA2CA12KMT2ATDP1
SCHEMBL22541408 0.76 CA9 (0.53) CA9CA2CA12KMT2ATDP1
SCHEMBL18026643 0.74 CA12 (0.68) CA9CA2CA12KMT2ATDP1
SCHEMBL7462238 0.73 CA9 (0.49) CA9CA2CA12KMT2ATDP1
SCHEMBL7307926 0.72 CA12 (0.48) CA9CA2CA12KMT2ATDP1
SCHEMBL11205876 0.70 CA12 (0.46) CA9CA2CA12KMT2ATDP1
SCHEMBL11192679 0.69 CA12 (0.44) CA9CA2CA12KMT2ATDP1
SCHEMBL30339085 0.69 CA9 (1.00) CA9CA2CA12ELANELMNA
SCHEMBL107126 0.69 CA9 (1.00) CA9CA2CA12ELANELMNA
SCHEMBL11195731 0.68 CA12 (0.43) CA9CA2CA12KMT2ATDP1

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-5250696-A Treatment of degenerative diseases STERLING WINTHROP INC. (US) 1993-10-05 US disclosed