SCHEMBL11215228

SCHEMBL11215228

CCOC(=O)C(C)CC(=O)C(C#N)c1cc(C)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
MEN1 O00255 4/20 0.40
GAA P10253 1/20 0.40
NLRP3 Q96P20 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
HTT P42858 2/20 0.33
MAPK8 P45983 1/20 0.32
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
NFKB1 P19838 1/20 0.32
HBB P68871 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
SCHEMBL17844019 0.85 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2MEN1GAANLRP3
SCHEMBL17844001 0.79 SMN1; SMN2 (0.40) KMT2ASMN1; SMN2GAANLRP3CYP2C9
SCHEMBL10911738 0.77 NLRP3 (0.38) KMT2ASMN1; SMN2MEN1GAANLRP3
SCHEMBL11225211 0.71 SMN1; SMN2 (0.40) KMT2ASMN1; SMN2MEN1GAANLRP3
SCHEMBL11216995 0.71 MDM2 (0.37) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL10911371 0.69 SMN1; SMN2 (0.38) KMT2ASMN1; SMN2MEN1GAANLRP3
SCHEMBL2654569 0.69 LMNA (0.35) KMT2ASMN1; SMN2MEN1GAACYP1A2
SCHEMBL4579109 0.68 GAA (0.58) KMT2ASMN1; SMN2MEN1GAANLRP3
SCHEMBL6289274 0.68 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL10911415 0.68 SMN1; SMN2 (0.36) KMT2ASMN1; SMN2MEN1GAANLRP3

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