SCHEMBL7559600

SCHEMBL7559600

Cc1oc(-c2ccccc2)nc1COc1ccc2cc(CO)ccc2c1

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.83
FFAR1 O14842 1/20 0.65
PPARG P37231 15/20 0.60
PPARA Q07869 15/20 0.60
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL3281065 0.91 KDR (0.76) KDRFFAR1PPARGPPARAMAPT
SCHEMBL4034790 0.91 KDR (1.00) KDRFFAR1PPARGPPARAMAPT
SCHEMBL7564833 0.88 KDR (0.65) KDRFFAR1PPARGPPARAMAPT
SCHEMBL4850325 0.86 FFAR1 (0.69) KDRFFAR1PPARGPPARAMAPT
Methane SCHEMBL7559602 0.85 KDR (0.67) KDRFFAR1PPARGPPARAMAPT
SCHEMBL4029049 0.85 KDR (0.64) KDRFFAR1PPARGPPARAMAPT
SCHEMBL4746637 0.84 FFAR1 (0.77) KDRFFAR1PPARGPPARAMAPT
SCHEMBL8128837 0.84 KDR (0.66) KDRFFAR1PPARGPPARAMAPT
SCHEMBL4032526 0.84 KDR (0.69) KDRFFAR1PPARGPPARAMAPT
SCHEMBL5398105 0.84 KDR (0.76) KDRFFAR1PPARGPPARAMAPT

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-1229026-A1 ALKOXYIMINOALKANOIC ACID DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed