SCHEMBL28308574

SCHEMBL28308574

CCCCCCCCCCS(=O)(=O)OCCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.47
CA2 P00918 9/20 0.47
CA9 Q16790 8/20 0.47
CA12 O43570 3/20 0.47
CA7 P43166 3/20 0.47
CA14 Q9ULX7 3/20 0.47
CA3 P07451 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
RECQL P46063 2/20 0.46
TSHR P16473 2/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
EPHX2 P34913 1/20 0.46
PRKCA P17252 1/20 0.46
BLM P54132 1/20 0.46
LMNA P02545 2/20 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
SCHEMBL28180453 1.00 CA1 (0.47) CA1CA2CA9CA12CA7
SCHEMBL28147888 1.00 CA1 (0.47) CA1CA2CA9CA12CA7
SCHEMBL28179693 1.00 CA1 (0.47) CA1CA2CA9CA12CA7
SCHEMBL5604680 1.00 CA1 (0.47) CA1CA2CA9CA12CA7
SCHEMBL28032705 0.98 CA1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL28032190 0.98 CA1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL27498636 0.92 CA1 (0.48) CA1CA2CA9CA12CA7
SCHEMBL5604683 0.92 CA1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL28172236 0.92 CA1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL28760005 0.91 CA1 (0.50) CA1CA2CA9CA12CA7

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-110038435-A Improve the methods and applications of the rejection of concurrent flow reverse osmosis membrane processing unit 神华集团有限责任公司 2019-07-23 CN claimed