SCHEMBL8150109

SCHEMBL8150109

CCOC(=O)C(NC(c1cccnc1)c1cccnc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 3/20 0.46
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
MC4R P32245 1/20 0.46
HTT P42858 1/20 0.46
CCR6 P51684 1/20 0.46
ALOX5 P09917 2/20 0.42
PTGS2 P35354 2/20 0.42
PTGS1 P23219 1/20 0.42
GAA P10253 2/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL8143870 0.85 ALOX5 (0.42) MAPTALDH1A1MAPK1LMNATDP1
SCHEMBL8143057 0.83 KMT2A (0.45) MAPTALDH1A1MAPK1LMNATDP1
SCHEMBL8144608 0.76 MAPT (0.37) MAPTALDH1A1MAPK1LMNATDP1
SCHEMBL8144613 0.76 MAPT (0.41) MAPTALDH1A1MAPK1LMNAHTT
SCHEMBL6644428 0.75 GAA (0.44) MAPTALDH1A1MAPK1LMNATP53
SCHEMBL8141691 0.75 HMGCR (0.41) ALDH1A1LMNATDP1NPSR1HTT
SCHEMBL8150112 0.74 ALDH1A1 (0.43) MAPTALDH1A1MAPK1LMNATDP1
SCHEMBL19318503 0.73 GAA (0.43) MAPTALDH1A1MAPK1LMNATP53
SCHEMBL6638627 0.73 SMN1; SMN2 (0.45) MAPTALDH1A1MAPK1LMNATP53
SCHEMBL8151087 0.73 MEN1 (0.50) MAPTALDH1A1MAPK1TDP1HTT

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
US-6017918-A Phenyl glycine compounds and methods of treating atherosclerosis and restenosis WARNER-LAMBERT COMPANY (US) 2000-01-25 US disclosed