SCHEMBL8979188

SCHEMBL8979188

CCC(C)OC(=O)C(CCC#N)(CCC#N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33

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
SCHEMBL15353162 0.82 MEN1 (0.34) MEN1KMT2ACTSSCTSK
SCHEMBL2353120 0.82 MAPT (0.33)
SCHEMBL3531184 0.78 MAPT (0.34) MEN1KMT2A
SCHEMBL8979177 0.77 MEN1 (0.83) MEN1KMT2A
SCHEMBL9550958 0.76 MAPT (0.33)
SCHEMBL12079646 0.76 LMNA (0.39) MEN1KMT2A
Hydrochloric Acid SCHEMBL8979122 0.75 KDM4E (0.39)
SCHEMBL5803750 0.74 MAPT (0.31)
SCHEMBL8979192 0.74
SCHEMBL16268583 0.73 MEN1 (0.51) MEN1KMT2ACTSSCTSK

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-5552507-A DI-(3-ISOCYANATOPROPYL) MALONIC ACID DIESTERS, MONOMERS FOR POLYURETHANES OR POLYUREAS THAT ARE PHOTOSTABLE AND WEATHER RESISTANT BAYER AKTIENGESELLSCHAFT (DE) 1996-09-03 US disclosed