SCHEMBL7420967

SCHEMBL7420967

CCOC(=O)C(C)c1ccc2c(c1)CCCN2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
ALDH1A1 P00352 3/20 0.52
GAA P10253 3/20 0.52
TSHR P16473 2/20 0.52
KDM4E B2RXH2 2/20 0.48
ALOX15 P16050 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
CASP1 P29466 1/20 0.45
HTT P42858 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL6140914 0.82 MAPT (0.57) MAPTALDH1A1GAATSHRKDM4E
SCHEMBL28815680 0.81 RAB9A (0.45) ALDH1A1GAAHTTTDP1CYP2C19
SCHEMBL4682191 0.80 MAPT (0.62) MAPTALDH1A1GAATSHRKDM4E
SCHEMBL30853462 0.80 MAPT (0.62) MAPTALDH1A1GAATSHRKDM4E
SCHEMBL4136786 0.79 PTGS1 (0.44) MAPTALDH1A1GAATSHRKDM4E
SCHEMBL30303082 0.78 MAPT (0.44) MAPTALDH1A1GAATSHRKDM4E
SCHEMBL28917764 0.78 MAPT (0.44) MAPTALDH1A1GAATSHRKDM4E
SCHEMBL13588584 0.76 GAA (0.52) MAPTALDH1A1GAATSHRKDM4E
SCHEMBL5778799 0.76 MAPT (0.54) MAPTALDH1A1GAATSHRKDM4E
SCHEMBL5778803 0.76 MAPT (0.54) MAPTALDH1A1GAATSHRKDM4E

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
EP-0815103-A1 TRYPSIN AND THROMBIN INHIBITORS Novartis AG (CH) 1998-01-07 EP disclosed
WO-1996029327-A1 TRYPSIN AND THROMBIN INHIBITORS NOVARTIS AG (CH) 1996-09-26 WO disclosed