SCHEMBL7563293

SCHEMBL7563293

Cc1oc(-c2ccccc2)nc1COc1ccc2cc(C=O)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.60
FFAR1 O14842 1/20 0.58
PPARG P37231 10/20 0.56
PPARA Q07869 10/20 0.56
MAPT P10636 4/20 0.49
KDM4E B2RXH2 1/20 0.48
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL6157782 0.92 FFAR1 (0.65) KDRFFAR1PPARGPPARAMAPT
SCHEMBL6157414 0.91 KDR (0.67) KDRFFAR1PPARGPPARAMAPT
SCHEMBL8340671 0.90 KDR (0.57) KDRFFAR1PPARGPPARAMAPT
SCHEMBL8340675 0.90 KDR (0.57) KDRFFAR1PPARGPPARAMAPT
SCHEMBL4034465 0.85 RAB9A (0.53) KDRFFAR1PPARGPPARAMAPT
SCHEMBL8122331 0.84 KDR (0.56) KDRFFAR1PPARGPPARAMAPT
SCHEMBL6955816 0.84 FFAR1 (0.61) KDRFFAR1PPARGPPARAMAPT
SCHEMBL8133066 0.84 KDR (0.55) KDRFFAR1PPARGPPARAMAPT
SCHEMBL4029430 0.83 MAPT (0.50) KDRFFAR1PPARGPPARAMAPT
SCHEMBL8129881 0.83 KDR (0.57) 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