SCHEMBL9118375

SCHEMBL9118375

CCCOS(=O)(=O)CCN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 14/20 0.52
CA2 P00918 14/20 0.52
CA9 Q16790 9/20 0.37
CA12 O43570 5/20 0.35
CA7 P43166 5/20 0.35
CA14 Q9ULX7 4/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
BLM P54132 2/20 0.35
LMNA P02545 1/20 0.35
SLC6A6 P31641 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 2/20 0.30
HPGD P15428 2/20 0.30
GLA P06280 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
Ethylene SCHEMBL28013346 0.96 CA1 (0.48) CA1CA2CA9CA12CA7
SCHEMBL8859260 0.86 CA1 (0.56) CA1CA2CA9CA12CA7
Ethylenediamine SCHEMBL23071392 0.86 CA2 (0.48) CA1CA2CA9CA12CA7
SCHEMBL16045111 0.85 CA1 (0.55) CA1CA2CA9CA12CA7
SCHEMBL1566746 0.85 CA1 (0.57) CA1CA2CA9CA12CA7
SCHEMBL21357037 0.83 CA1 (0.59) CA1CA2CA9CA12CA7
SCHEMBL1723674 0.83 CA1 (0.59) CA1CA2CA9CA12CA7
SCHEMBL9311891 0.83 CA1 (0.59) CA1CA2CA9CA12CA7
SCHEMBL9116898 0.83 CA1 (0.59) CA1CA2CA9CA12CA7
SCHEMBL8745708 0.83 CA1 (0.59) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019203041-A1 CLEANSER COMPOSITION 株式会社 資生堂 2019-10-24 WO disclosed
WO-2019203040-A1 CLEANSER COMPOSITION 株式会社 資生堂 2019-10-24 WO disclosed
US-5434276-A Process for making N-acyl taurides FINETEX, INC. (US) 1995-07-18 US disclosed
WO-1995018095-A1 PROCESS FOR MAKING N-ACYL TAURIDES FINETEX, INC. (US) 1995-07-06 WO disclosed