SCHEMBL11216995

SCHEMBL11216995

CCOC(=O)C1CCCCC1C(=O)C(C#N)c1cc(C)ccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.37
KDM4E B2RXH2 5/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
MMP13 P45452 1/20 0.36
CASP7 P55210 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALOX12 P18054 1/20 0.34
HIF1A Q16665 1/20 0.34
ADRB2 P07550 1/20 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
SCHEMBL11214985 0.91 KDM4E (0.36) MDM2KDM4ENPSR1MAPTTSHR
SCHEMBL17844019 0.78 SMN1; SMN2 (0.49) KDM4EMAPTTSHRMEN1KMT2A
SCHEMBL11215228 0.71 KMT2A (0.40) MAPTTSHRMEN1KMT2AALDH1A1
SCHEMBL17844001 0.69 SMN1; SMN2 (0.40) MAPTTSHRTAS1R3TAS1R1KMT2A
SCHEMBL8708010 0.68 TAS1R3 (0.38) KDM4ETAS1R3TAS1R1MEN1KMT2A
SCHEMBL234644 0.68 TP53 (0.53) MAPTTAS1R3TAS1R1MEN1KMT2A
SCHEMBL13011542 0.68 TP53 (0.53) MAPTTAS1R3TAS1R1MEN1KMT2A
SCHEMBL6900183 0.68 TP53 (0.53) MAPTTAS1R3TAS1R1MEN1KMT2A
SCHEMBL28405577 0.68 TP53 (0.53) MAPTTAS1R3TAS1R1MEN1KMT2A
SCHEMBL10911738 0.68 NLRP3 (0.38) MAPTTSHRCASP1MEN1KMT2A

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