SCHEMBL9511990

SCHEMBL9511990

CC1(C(=O)OCCOC(=O)C2(C)OC2c2ccccc2)OC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 3/20 0.40
POLB P06746 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PPARG P37231 1/20 0.35
SLC18A3 Q16572 1/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL14967651 0.92 LMNA (0.45) KMT2ANPSR1MAPTTSHRADORA3
SCHEMBL14967737 0.90 TSHR (0.45) KMT2ANPSR1MAPTTSHRPOLB
SCHEMBL57714 0.89 TSHR (0.49) KMT2ANPSR1MAPTTSHRADORA3
SCHEMBL14967137 0.89 PPARG (0.49) KMT2ANPSR1MAPTTSHRPOLB
SCHEMBL14967869 0.87 PPARG (0.51) KMT2ANPSR1MAPTTSHRPOLB
SCHEMBL14968052 0.83 HTT (0.45) KMT2ANPSR1MAPTPOLBL3MBTL1
SCHEMBL14966796 0.81 L3MBTL1 (0.43) KMT2ANPSR1MAPTPOLBL3MBTL1
SCHEMBL14967706 0.79 TSHR (0.39) KMT2ANPSR1MAPTTSHRPOLB
SCHEMBL14967416 0.79 L3MBTL1 (0.42) KMT2ANPSR1MAPTTSHRPOLB
SCHEMBL5862723 0.79 KMT2A (0.40) KMT2ANPSR1MAPTTSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347227-B1 Pesticidal compositions DU PONT (US) 1993-11-24 EP disclosed
US-5135744-A PALATABLE SOLID PESTICIDAL COMPOSITIONS OF ETHYLENE AND VINYL ACETATE COPOLYMER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-04 US disclosed
EP-0347227-A1 Pesticidal compositions E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-12-20 EP disclosed