SCHEMBL11269715

SCHEMBL11269715

COC(=O)CC(C)(C)C(C#N)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC1A1 P43005 1/20 0.33
TSHR P16473 2/20 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
Ethane SCHEMBL11256964 0.98 MEN1 (0.34) MEN1HPGDRECQLKMT2AHSD17B10
SCHEMBL11256960 0.81 GAA (0.35) MEN1HPGDRECQLKMT2AHSD17B10
SCHEMBL14419942 0.79 TSHR (0.36) MEN1HPGDRECQLKMT2AHSD17B10
SCHEMBL11152701 0.77
SCHEMBL11256055 0.76 TSHR (0.33) HSD17B10TSHR
SCHEMBL11256776 0.76 TSHR (0.33) HSD17B10TSHR
SCHEMBL8508470 0.75 DPP4 (0.33)
SCHEMBL11256957 0.75 GAA (0.39) MEN1KMT2ATSHR
SCHEMBL11147716 0.73
SCHEMBL5520111 0.72 FFAR1 (0.38)

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-4332745-A Preparation of 2-cyano-3,3-dimethyl-cyclopropane-1-carboxylic acid esters and intermediates therefor BAYER AKTIENGESELLSCHAFT (DE) 1982-06-01 US disclosed