SCHEMBL11214985

SCHEMBL11214985

CCOC(=O)C1CCCCC1C(=O)C(C#N)c1ccc(C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 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
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 2/20 0.35
MDM2 Q00987 1/20 0.35
GAA P10253 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL11216995 0.91 MDM2 (0.37) KDM4ENPSR1MAPTTSHRCASP1
SCHEMBL11225211 0.74 SMN1; SMN2 (0.40) KDM4EMAPTTSHRCASP1CASP7
SCHEMBL10911371 0.72 SMN1; SMN2 (0.38) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL6829398 0.71 SMN1; SMN2 (0.40) KDM4EMAPTCASP1TAS1R3TAS1R1
SCHEMBL8708010 0.71 TAS1R3 (0.38) KDM4ETAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL3201307 0.69 KMT2A (0.36) TAS1R3TAS1R1SMN1; SMN2ALDH1A1LMNA
SCHEMBL509923 0.69 MEN1 (0.39) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL234644 0.68 TP53 (0.53) MAPTTAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL6900183 0.68 TP53 (0.53) MAPTTAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL13011542 0.68 TP53 (0.53) MAPTTAS1R3TAS1R1ALDH1A1MEN1

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