SCHEMBL9712762

SCHEMBL9712762

CCOc1cccc(OCC)c1C(=O)Br

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
GLA P06280 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.47
HCRTR1 O43613 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAOB P27338 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CA9 Q16790 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL1672245 0.82 CA12 (0.61) L3MBTL1GLAMRGPRX4HCRTR1GAA
SCHEMBL5088087 0.82 CA9 (0.54) L3MBTL1GLAMRGPRX4HCRTR1GAA
SCHEMBL11516666 0.80 L3MBTL1 (0.52) L3MBTL1GLAMRGPRX4HCRTR1GAA
SCHEMBL16666142 0.80 GLA (0.52) L3MBTL1GLAMRGPRX4HCRTR1GAA
SCHEMBL6900910 0.78 CA12 (0.53) L3MBTL1GLAHCRTR1GAAALDH1A1
SCHEMBL2447016 0.78 L3MBTL1 (0.55) L3MBTL1GLAMRGPRX4HCRTR1GAA
SCHEMBL11671935 0.78 ALDH1A1 (0.59) L3MBTL1HCRTR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL16955383 0.77 ALDH1A1 (0.48) L3MBTL1GLAMRGPRX4HCRTR1GAA
SCHEMBL124096 0.76 LMNA (0.55) L3MBTL1GLAMRGPRX4HCRTR1ALDH1A1
SCHEMBL22408082 0.76 L3MBTL1 (0.51) L3MBTL1GLAMRGPRX4ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4943634-A HERBICIDES ELI LILLY AND COMPANY (US) 1990-07-24 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
EP-0049071-B1 N-ARYLBENZAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-12-19 EP disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed
EP-0049071-A1 N-arylbenzamide derivatives ELI LILLY AND COMPANY (US) 1982-04-07 EP disclosed