SCHEMBL8949567

SCHEMBL8949567

CCOC(=O)c1c(C(C)C)nc(C(C)C)c(C(=O)OCC)c1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.69
ALDH1A1 P00352 4/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
KDM4E B2RXH2 3/20 0.69
LMNA P02545 2/20 0.69
HPGD P15428 2/20 0.69
RAB9A P51151 2/20 0.69
GAA P10253 2/20 0.69
NPC1 O15118 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ADORA3 P0DMS8 3/20 0.53
TDP1 Q9NUW8 1/20 0.52
TP53 P04637 2/20 0.51
HTT P42858 1/20 0.51
GRM6 O15303 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TSHR P16473 2/20 0.51
CYP1A2 P05177 1/20 0.50

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
SCHEMBL2648212 0.86 GCGR (0.62) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL2648920 0.86 LMNA (0.54) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL2648548 0.83 MAPT (0.51) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL14917264 0.82 FABP4 (0.73) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL2648215 0.82 MAPT (0.48) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL2648214 0.82 MAPT (0.48) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL15976546 0.82 ALDH1A1 (1.00) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL2647828 0.81 MAPT (0.46) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL8319524 0.81 SMN1; SMN2 (0.61) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL2649452 0.80 HTT (0.46) MAPTALDH1A1SMN1; SMN2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5502057-A Polysubstituted pyridines useful for treating lipoproteinanaemia and arteriosclerosis BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
US-5470982-A Disubstituted pyridines BAYER AKTIENGESELLSCHAFT (DE) 1995-11-28 US disclosed
US-5173495-A 7-[(2,6-dialkyl-4-furyl or thienyl-pyridyl)]-3,5-di-(dihydroxy-6-enoates) useful for treating circulatory diseases BAYER AKTIENGESELLSCHAFT (DE) 1992-12-22 US disclosed
US-4968689-A Certain 2,6-diisopropyl-4-(4-fluoro-phenyl)-3,5-bis-dimethyl-3',5'-dihydroxy-hept-6-enoate-pyridine derivatives useful for treating lipoproteinaemia and arteriosclerosis BAYER AKTIENGESELLSCHAFT (DE) 1990-11-06 US disclosed