SCHEMBL28021552

SCHEMBL28021552

CCCCCCCCCCCCS(=O)(=O)OCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.48
CA1 P00915 11/20 0.48
CA9 Q16790 8/20 0.48
CA12 O43570 3/20 0.48
CA7 P43166 3/20 0.48
CA14 Q9ULX7 3/20 0.48
CA3 P07451 2/20 0.48
CA4 P22748 2/20 0.48
CA6 P23280 2/20 0.48
CA5A P35218 2/20 0.48
CA5B Q9Y2D0 2/20 0.48
FAAH O00519 2/20 0.48
RECQL P46063 2/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
EPHX2 P34913 1/20 0.47
BLM P54132 1/20 0.47
PRKCA P17252 1/20 0.43

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
SCHEMBL7871121 1.00 CA2 (0.48) CA2CA1CA9CA12CA7
SCHEMBL25206822 1.00 CA2 (0.48) CA2CA1CA9CA12CA7
SCHEMBL6745890 1.00 CA2 (0.48) CA2CA1CA9CA12CA7
SCHEMBL2384852 1.00 CA2 (0.48) CA2CA1CA9CA12CA7
SCHEMBL28267616 0.98 CA2 (0.47) CA2CA1CA9CA12CA7
Ammonia Solution, Strong SCHEMBL28064092 0.98 CA2 (0.47) CA2CA1CA9CA12CA7
SCHEMBL2383575 0.98 CA2 (0.46) CA2CA1CA9CA12CA7
SCHEMBL10773696 0.91 CA2 (0.59) CA2CA1CA9CA12CA7
SCHEMBL4270674 0.91 CA2 (0.59) CA2CA1CA9CA12CA7
SCHEMBL10908786 0.91 CA2 (0.59) CA2CA1CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107500653-A For high and cold, high altitude localities cement concrete and preparation method thereof 长安大学 2017-12-22 CN claimed
CN-107500653-A For high and cold, high altitude localities cement concrete and preparation method thereof 长安大学 2017-12-22 CN disclosed
CN-104739731-A Radix stemonae sterilization hand sanitizer and preparation method thereof HUANG LIN 2015-07-01 CN disclosed