SCHEMBL16495409

SCHEMBL16495409

CCOC(=O)Cn1c(C)cc2c1CCN(C)C2=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKN2 Q16513 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.42
PIN1 Q13526 1/20 0.42
PIN4 Q9Y237 1/20 0.42
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AOC3 Q16853 2/20 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
SCHEMBL1055360 0.79 LMNA (0.51) RAB9ATSHRALDH1A1KDM4EPIN1
SCHEMBL11891663 0.73 LMNA (0.48) RAB9ATSHRALDH1A1KDM4EPIN1
SCHEMBL1054878 0.73 LMNA (0.48) RAB9ATSHRALDH1A1KDM4EPIN1
SCHEMBL11891662 0.73 LMNA (0.48) RAB9ATSHRALDH1A1KDM4EPIN1
SCHEMBL3376310 0.72 ALDH1A1 (0.49) RAB9ATSHRALDH1A1KDM4EPIN1
SCHEMBL13417273 0.71 LMNA (0.55) RAB9ATSHRALDH1A1KDM4EGSK3A
SCHEMBL3372555 0.71 LMNA (0.53) RAB9ATSHRALDH1A1KDM4EGSK3A
SCHEMBL16495110 0.71 ALDH1A1 (0.36) RAB9ATSHRALDH1A1KDM4EPIN1
SCHEMBL13417154 0.70 LMNA (0.52) RAB9ATSHRALDH1A1KDM4EGSK3A
SCHEMBL16507769 0.70 RAB9A (0.43) RAB9ATSHRALDH1A1KDM4EPIN1

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-2526945-A1 New CRTH2 Antagonists Almirall, S.A. (ES) 2012-11-28 EP disclosed
EP-2526945-A1 New CRTH2 Antagonists Almirall, S.A. (ES) 2012-11-28 EP disclosed