SCHEMBL9979561

SCHEMBL9979561

CCOC(=O)/C=C/CCc1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
TTR P02766 1/20 0.48
DPP4 P27487 1/20 0.48
LMNA P02545 1/20 0.46
MDM2 Q00987 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 1/20 0.46
AKR1B10 O60218 2/20 0.44
AKR1B1 P15121 2/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
RAB9A P51151 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
MAOB P27338 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
SCHEMBL16852879 0.87 MAPT (0.56) MAPTTTRDPP4LMNAMDM2
SCHEMBL24611335 0.87 MAPT (0.56) MAPTTTRDPP4LMNAMDM2
SCHEMBL5640453 0.85 TAAR1 (0.44) MAPTTTRAKR1B10AKR1B1RAB9A
SCHEMBL5640457 0.85 TAAR1 (0.44) MAPTTTRAKR1B10AKR1B1RAB9A
SCHEMBL22877414 0.83 MAPT (0.52) MAPTTTRDPP4LMNAMDM2
SCHEMBL24611337 0.83 MAPT (0.56) MAPTLMNAMDM2ALDH1A1CYP4F2
SCHEMBL1268422 0.80 MAPT (0.62) MAPT
SCHEMBL21678700 0.80 MAPT (0.52) MAPTTTRDPP4LMNAMDM2
SCHEMBL1268421 0.80 MAPT (0.62) MAPT
SCHEMBL27310628 0.78 MAPT (0.59) MAPT

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
WO-2012081570-A1 LACTAM COMPOUND OR A SALT THEREOF, AND PPAR ACTIVATOR あすか製薬株式会社 (JP) 2012-06-21 WO disclosed