SCHEMBL9712866

SCHEMBL9712866

COc1cccc(OC)c1C(=O)C(=O)OC=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
TLR2 O60603 1/20 0.43
ERN1 O75460 1/20 0.43
TLR1 Q15399 1/20 0.43
TLR6 Q9Y2C9 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.40
NFE2L2 Q16236 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ATM Q13315 1/20 0.39
GAA P10253 1/20 0.39
TFEB P19484 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
SCHEMBL9712860 0.81 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL1736009 0.75 MAPT (0.54) CA12CA1CA2CA7CA9
SCHEMBL4236775 0.75 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL30610109 0.72 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL5260335 0.72 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL11755425 0.72 CA1 (0.71) CA12CA1CA2CA7CA9
SCHEMBL15155371 0.72 CA12 (0.59) CA12CA1CA2CA7CA9
2,6-Dimethoxybenzoic Acid SCHEMBL149926 0.70 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL598460 0.70 CA9 (0.68) CA12CA1CA2CA7CA9
SCHEMBL444923 0.70 CA12 (0.68) CA12CA1CA2CA7CA9

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