SCHEMBL28294854

SCHEMBL28294854

Cc1ccc2c(c1S)C(=O)C(O)(O)C2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 18/20 0.58
CA2 P00918 18/20 0.58
CA7 P43166 18/20 0.58
CA9 Q16790 18/20 0.58
CA4 P22748 4/20 0.47
RECQL P46063 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
BACE1 P56817 1/20 0.42
EHMT2 Q96KQ7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP2 O95551 1/20 0.35
NSD2 O96028 1/20 0.35
HSP90AA1 P07900 1/20 0.35
PAX8 Q06710 1/20 0.35
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL24756654 0.77 CA1 (0.61) CA1CA2CA7CA9CA4
SCHEMBL6199820 0.73 CA1 (1.00) CA1CA2CA7CA9CA4
SCHEMBL27627395 0.69 PARP1 (0.44) ALDH1A1TDP2NSD2HSP90AA1PAX8
SCHEMBL15642284 0.66 CA1 (0.61) CA1CA2CA7CA9CA4
SCHEMBL11726870 0.65 ALOX15 (0.39) CA1CA2CA7CA4ALDH1A1
SCHEMBL6196955 0.64 CA1 (1.00) CA1CA2CA7CA9CA4
SCHEMBL15642543 0.63 CA1 (1.00) CA1CA2CA7CA9RECQL
Methyl Alcohol SCHEMBL3930226 0.62 CA1 (0.90) CA1CA2CA7CA9CA4
SCHEMBL8665649 0.62 CA1 (1.00) CA1CA2CA7CA9CA4
SCHEMBL27641878 0.62 CA1 (0.63) CA1CA2CA7CA9CA4

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
CN-208863419-U Device for catching and detecting dust mites 天拓生技有限公司 2019-05-17 CN disclosed