SCHEMBL8178136

SCHEMBL8178136

CCOC(=O)c1c(C(C)C)nc(-c2ccc(F)cc2)c(C(=O)OC)c1-c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.64
TP53 P04637 1/20 0.47
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
SLC10A2 Q12908 1/20 0.46
HTT P42858 1/20 0.45
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC26A6 Q9BXS9 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
PTGS2 P35354 1/20 0.43

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
SCHEMBL9737768 0.91 GCGR (0.64) GCGRTP53GAAPOLBSLC10A2
SCHEMBL13482768 0.91 GCGR (0.64) GCGRTP53GAAPOLBSLC10A2
SCHEMBL2648212 0.89 GCGR (0.62) GCGRGAAPOLBSLC10A2HTT
SCHEMBL9152067 0.89 GCGR (0.61) GCGRTP53GAAPOLBSLC10A2
SCHEMBL3192181 0.89 GCGR (0.61) GCGRTP53GAAPOLBSLC10A2
SCHEMBL6565362 0.85 GCGR (0.79) GCGRNPC1RAB9ALMNASMN1; SMN2
SCHEMBL5102023 0.84 GCGR (0.56) GCGRTP53GAAPOLBSLC10A2
SCHEMBL6949795 0.84 ADORA3 (0.50) GCGRTP53GAAPOLBHTT
SCHEMBL5101638 0.84 GCGR (0.58) GCGRTP53GAAPOLBSLC10A2
SCHEMBL5095166 0.84 GCGR (0.55) GCGRTP53GAAPOLBSLC10A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127383-A TREATMENT OF ARTERIOSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 2000-10-03 US disclosed
US-5925645-A ARTERIOSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 1999-07-20 US disclosed