SCHEMBL9408744

SCHEMBL9408744

COc1ccc(CC(CCC(=O)O)Sc2nc(OC)cc(OC)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
LDHA P00338 1/20 0.45
FFAR1 O14842 2/20 0.42
POLB P06746 1/20 0.40
PTGS1 P23219 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL9401523 0.83 ALOX5 (0.43) ALOX5LDHA
SCHEMBL9401327 0.74 ALOX5 (0.43) ALOX5LDHA
SCHEMBL9401367 0.74 PTGES (0.43) ALOX5HTT
SCHEMBL9401286 0.72 EDNRB (0.36) ALOX5POLBNPSR1
SCHEMBL31650242 0.71 LDHA (0.60) LDHAFFAR1HTTNPSR1
SCHEMBL9408726 0.71 ALOX5 (0.40) ALOX5
SCHEMBL9401551 0.70 COPS5 (0.35) ALOX5
SCHEMBL27542987 0.69 LDHA (0.57) LDHAFFAR1POLBLMNAHTT
SCHEMBL274471 0.67 FFAR1 (0.81) LDHAFFAR1POLBLMNA
SCHEMBL30792366 0.67 FFAR1 (0.81) LDHAFFAR1POLBLMNA

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-0593998-A1 Pyrimidinylthioalkane herbicides NIHON BAYER AGROCHEM K.K. (JP) 1994-04-27 EP disclosed