SCHEMBL23748427

SCHEMBL23748427

CCCCCCC(C)OS(N)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.48
CA1 P00915 11/20 0.48
CA9 Q16790 9/20 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
TP53 P04637 1/20 0.47
FAAH O00519 3/20 0.45
OPRM1 P35372 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL4910425 0.83 TP53 (0.45) CA2CA1CA9TP53FAAH
SCHEMBL16143482 0.83 TP53 (0.45) CA2CA1CA9TP53FAAH
SCHEMBL11867687 0.83 TP53 (0.45) CA2CA1CA9TP53FAAH
SCHEMBL18063451 0.83 CA1 (0.50) CA2CA1CA9CA12CA7
SCHEMBL14836535 0.82 TP53 (0.44) CA2TP53FAAHOPRM1CNR1
SCHEMBL14837354 0.82 TP53 (0.44) CA2TP53FAAHOPRM1CNR1
SCHEMBL8843279 0.82 TP53 (0.44) CA2TP53FAAHOPRM1CNR1
SCHEMBL14185392 0.82 TP53 (0.44) CA2TP53FAAHOPRM1CNR1
SCHEMBL22263512 0.82 TP53 (0.44) CA2TP53FAAHOPRM1CNR1
SCHEMBL8843220 0.82 TP53 (0.44) CA2TP53FAAHOPRM1CNR1

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
EP-3864003-A1 PRODRUG MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2021-08-18 EP disclosed