SCHEMBL11271880

SCHEMBL11271880

CCCCOCCOC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
TDP1 Q9NUW8 2/20 0.52
GAA P10253 1/20 0.52
FFAR1 O14842 2/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.45
ACACB O00763 3/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 1/20 0.41
NLRP1 Q9C000 1/20 0.41
PNLIP P16233 1/20 0.40

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
SCHEMBL5933503 0.90 SMN1; SMN2 (0.55) L3MBTL1TDP1GAAALDH1A1SMN1; SMN2
SCHEMBL10964279 0.86 FFAR1 (0.54) L3MBTL1TDP1GAAFFAR1ALDH1A1
SCHEMBL11442337 0.85 FFAR1 (0.55) L3MBTL1TDP1GAAFFAR1ALDH1A1
SCHEMBL9492512 0.85 FFAR1 (0.57) L3MBTL1TDP1GAAFFAR1ALDH1A1
SCHEMBL11441747 0.83 FFAR1 (0.50) L3MBTL1TDP1GAAFFAR1ALDH1A1
SCHEMBL28257486 0.82 ALDH1A1 (0.62) L3MBTL1TDP1GAAALDH1A1SMN1; SMN2
SCHEMBL11451336 0.82 FFAR1 (0.52) L3MBTL1TDP1GAAFFAR1ALDH1A1
SCHEMBL10966374 0.82 FFAR1 (0.52) L3MBTL1TDP1GAAFFAR1SMN1; SMN2
SCHEMBL9680623 0.82 TSHR (0.56) L3MBTL1TDP1GAAALDH1A1SMN1; SMN2
SCHEMBL11175672 0.82 FFAR1 (0.56) L3MBTL1TDP1GAAFFAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4309210-A HERBICIDE AND SAFENING AGENT CIBA-GEIGY CORPORATION (US) 1982-01-05 US disclosed