SCHEMBL11225211

SCHEMBL11225211

CCOC(=O)CCC(=O)C(C#N)c1ccc(C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.40
NLRP3 Q96P20 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 5/20 0.37
HSD17B10 Q99714 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NFKB1 P19838 1/20 0.37
HBB P68871 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL10911371 0.93 SMN1; SMN2 (0.38) SMN1; SMN2NLRP3MEN1KMT2AGAA
SCHEMBL10911415 0.83 SMN1; SMN2 (0.36) SMN1; SMN2NLRP3MEN1KMT2AGAA
SCHEMBL11218472 0.80 TDP1 (0.41) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL11819183 0.77 SMN1; SMN2 (0.42) SMN1; SMN2NLRP3MEN1KMT2AMAPT
SCHEMBL6829398 0.76 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL509923 0.74 MEN1 (0.39) MEN1KMT2AHSD17B10TSHRTDP1
SCHEMBL3201307 0.74 KMT2A (0.36) SMN1; SMN2MEN1KMT2AHSD17B10TDP1
SCHEMBL11214985 0.74 KDM4E (0.36) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL10911738 0.73 NLRP3 (0.38) SMN1; SMN2NLRP3MEN1KMT2AGAA
SCHEMBL8319298 0.73 KMT2A (0.35) SMN1; SMN2MEN1KMT2AHSD17B10TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4338122-A MITICIDES, HERBICIDES UNION CARBIDE CORPORATION (US) 1982-07-06 US disclosed
US-4283348-A SODIUM ETHOXIDE PROMOTED CYCLIZATION OF LEVULINIC ACID ESTERS UNION CARBIDE CORPORATION (US) 1981-08-11 US disclosed