SCHEMBL10695428

SCHEMBL10695428

CCC(N=C=O)C(=O)OC.CCCCC(N=C=O)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.50
CA1 P00915 4/20 0.50
ZDHHC7 Q9NXF8 1/20 0.40
MIF P14174 2/20 0.36
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.34
BIRC2 Q13490 1/20 0.33
ABCB1 P08183 1/20 0.33
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CTSK P43235 1/20 0.32
PLA2G2C Q5R387 1/20 0.32

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
SCHEMBL20361871 0.95 CA2 (0.50) CA2CA1ZDHHC7MIFTSHR
SCHEMBL4907463 0.95 CA2 (0.50) CA2CA1ZDHHC7MIFTSHR
SCHEMBL10451509 0.95 CA2 (0.50) CA2CA1ZDHHC7MIFTSHR
SCHEMBL11437950 0.89 ZDHHC7 (0.53) CA2CA1ZDHHC7MAPTHSD17B10
SCHEMBL11451874 0.89 ZDHHC7 (0.53) CA2CA1ZDHHC7MAPTHSD17B10
SCHEMBL1172986 0.88 MIF (0.42) CA2CA1ZDHHC7MIFTSHR
SCHEMBL10201901 0.88 MIF (0.42) CA2CA1ZDHHC7MIFTSHR
SCHEMBL9245515 0.88 CA2 (0.44) CA2CA1ZDHHC7MIFTSHR
SCHEMBL23423085 0.86 ZDHHC7 (0.39) CA2CA1ZDHHC7MIFMAPT
SCHEMBL21707116 0.86 CA1 (0.37) CA2CA1ZDHHC7MIFMAPT

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
US-4757085-A Pharmaceuticals BAYER AKTIENGESELLSCHAFT (DE) 1988-07-12 US disclosed