SCHEMBL11211077

SCHEMBL11211077

COc1ccc(C2C(=O)CCC2=O)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SRD5A1 P18405 2/20 0.40
CYP19A1 P11511 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL11222272 0.80 ACHE (0.43) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10900447 0.78 HSD17B10 (0.44) ALDH1A1HPGDHSD17B10L3MBTL1SRD5A1
SCHEMBL11219020 0.76 MAPT (0.38) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14293862 0.74 CA1 (0.49) MAPTALDH1A1HPGDSMN1; SMN2SRD5A1
SCHEMBL14267920 0.74 CA1 (0.56) KDM4ESRD5A1CYP19A1CA1CA2
SCHEMBL6872023 0.74 PROKR1 (0.44) MAPTMEN1KMT2AGAAHTR2C
SCHEMBL11210870 0.72 ALDH1A1 (0.43) MAPTALDH1A1CYP19A1CA1CA2
SCHEMBL809758 0.72 CA1 (0.55) SRD5A1CA1CA2CA9CA14
SCHEMBL10735338 0.71 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10SRD5A1
SCHEMBL6249142 0.71 HTR2C (0.51) MAPTKDM4EALDH1A1SMN1; SMN2SRD5A1

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