SCHEMBL8773796

SCHEMBL8773796

O=C(O)CCc1ccc(O)c(-c2c(Cl)ccc3[nH]nnc23)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.45
PPARG P37231 3/20 0.38
FFAR4 Q5NUL3 1/20 0.36
PRKAG1 P54619 2/20 0.35
PRKAA2 P54646 2/20 0.35
PRKAB1 Q9Y478 2/20 0.35
PRKAA1 Q13131 1/20 0.35
F3 P13726 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
SCHEMBL8773836 0.86 BACE1 (0.39) PRKAG1PRKAA2PRKAB1PRKAA1
SCHEMBL8773777 0.84 IGF1R (0.38) PRKAG1PRKAA2PRKAB1PRKAA1
SCHEMBL27447008 0.82 BRAF (0.34)
SCHEMBL28639792 0.78 MET (0.31)
SCHEMBL8847324 0.76 IDO1 (0.38)
SCHEMBL7129918 0.75 ESR2 (0.44) PRKAG1PRKAA2PRKAB1PRKAA1
SCHEMBL11021802 0.74 TRPA1 (0.38)
SCHEMBL11075897 0.73 ALDH1A1 (0.37) PRKAG1PRKAA2PRKAB1PRKAA1
SCHEMBL31570221 0.73 ALDH1A1 (0.37) PRKAG1PRKAA2PRKAB1PRKAA1
SCHEMBL27220597 0.73 EGFR (0.34)

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
EP-0794179-A1 Process for the preparation of benzotriazole derivatives EASTMAN KODAK COMPANY (US) 1997-09-10 EP disclosed