SCHEMBL29028987

SCHEMBL29028987

CCCCCCCCCOS(=O)(=O)CCCCCCCCC.[NaH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.57
CA1 P00915 10/20 0.57
CA9 Q16790 8/20 0.57
CA12 O43570 3/20 0.57
CA7 P43166 3/20 0.57
CA14 Q9ULX7 3/20 0.57
CA3 P07451 2/20 0.57
CA4 P22748 2/20 0.57
CA6 P23280 2/20 0.57
CA5A P35218 2/20 0.57
CA5B Q9Y2D0 2/20 0.57
RECQL P46063 2/20 0.55
TSHR P16473 2/20 0.55
GLA P06280 1/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.55
EPHX2 P34913 1/20 0.55
BLM P54132 1/20 0.55
FAAH O00519 2/20 0.46
PRKCA P17252 1/20 0.42

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
SCHEMBL29191178 1.00 CA2 (0.57) CA2CA1CA9CA12CA7
SCHEMBL28588630 1.00 CA2 (0.57) CA2CA1CA9CA12CA7
SCHEMBL28635212 1.00 CA2 (0.57) CA2CA1CA9CA12CA7
SCHEMBL28635351 1.00 CA2 (0.57) CA2CA1CA9CA12CA7
SCHEMBL691403 1.00 CA2 (0.57) CA2CA1CA9CA12CA7
SCHEMBL29108858 1.00 CA2 (0.57) CA2CA1CA9CA12CA7
SCHEMBL28621089 1.00 CA2 (0.57) CA2CA1CA9CA12CA7
SCHEMBL28632112 1.00 CA2 (0.57) CA2CA1CA9CA12CA7
SCHEMBL28632142 1.00 CA2 (0.57) CA2CA1CA9CA12CA7
SCHEMBL11497434 1.00 CA2 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115298388-B Treating agent for synthetic fiber and use thereof 松本油脂制药株式会社 2023-07-07 CN disclosed