SCHEMBL9979672

SCHEMBL9979672

C=Cc1ccc2c(ccn2CC(=O)OCC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.43
ALDH1A1 P00352 4/20 0.41
ATM Q13315 1/20 0.41
KRAS P01116 4/20 0.40
TNF P01375 2/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38

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
SCHEMBL7968586 0.88 PLA2G4A (0.53) PLA2G4AALDH1A1ATMTNFMAPT
SCHEMBL30396580 0.82 F2 (0.45) ALDH1A1ATMTNFMAPTLMNA
SCHEMBL3689068 0.82 F2 (0.45) ALDH1A1ATMTNFMAPTLMNA
SCHEMBL20037274 0.81 ALDH1A1 (0.50) ALDH1A1ATMTNFKDM4E
SCHEMBL20037218 0.81 TDP1 (0.53) ALDH1A1ATMKRASMAPTLMNA
SCHEMBL29138523 0.81 MTNR1A (0.56) ALDH1A1ATMTNFMAPTLMNA
SCHEMBL1666483 0.81 NTSR1 (0.52) ALDH1A1ATMTNFMAPTLMNA
SCHEMBL4483940 0.81 ATM (0.43) ALDH1A1ATMTNFMAPTLMNA
SCHEMBL4485443 0.81 NTSR1 (0.52) ALDH1A1ATMKRASLMNAMEN1
SCHEMBL19777848 0.80 ALDH1A1 (0.46) ALDH1A1ATMTNFMAPTLMNA

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