SCHEMBL14441122

SCHEMBL14441122

C#CCOC(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
NPC1 O15118 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
MAPT P10636 2/20 0.44
USP5 P45974 1/20 0.44
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAOA P21397 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PRSS1 P07477 1/20 0.41
ACR P10323 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
SCHEMBL15803989 0.86 CA12 (0.52) CA12CA1CA2CA9CA14
SCHEMBL176369 0.86 CA12 (0.71) CA12CA1CA2CA9CA14
SCHEMBL2909577 0.81 CA12 (0.61) CA12CA1CA2CA9CA14
SCHEMBL11410746 0.81 CA12 (0.66) CA12CA1CA2CA9CA14
Terephthalic Acid SCHEMBL28552075 0.80 CA1 (0.65) CA12CA1CA2CA9CA14
SCHEMBL2832918 0.79 CA1 (0.63) CA12CA1CA2CA9CA14
SCHEMBL570567 0.79 LMNA (0.67) CA12CA1CA2CA9CA14
SCHEMBL7872582 0.79 CA12 (0.63) CA12CA1CA2CA9CA14
SCHEMBL9960375 0.78 CA1 (0.58) CA12CA1CA2CA9CA14
SCHEMBL19762354 0.77 ALDH1A1 (0.55) NPC1MEN1KMT2AMAPTUSP5

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
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed