SCHEMBL9396240

SCHEMBL9396240

CC(C)CC(=O)CC(=O)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
CTNNB1 P35222 4/20 0.48
WNT3A P56704 2/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
LMNA P02545 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GSK3B P49841 1/20 0.45
GRM4 Q14833 1/20 0.44
TLR7 Q9NYK1 2/20 0.43
EPHX2 P34913 1/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7109048 0.86 ALDH1A1 (0.55) ALDH1A1KDM4EHTTCTNNB1WNT3A
SCHEMBL29915595 0.86 ALDH1A1 (0.55) ALDH1A1KDM4EHTTCTNNB1WNT3A
SCHEMBL2544523 0.84 CES2 (0.59) ALDH1A1CTNNB1WNT3ACES2CES1
SCHEMBL33721999 0.84 CES2 (0.59) ALDH1A1CTNNB1WNT3ACES2CES1
SCHEMBL29355245 0.80 CES2 (0.64) ALDH1A1CTNNB1WNT3ACES2CES1
SCHEMBL253276 0.80 CES2 (0.64) ALDH1A1CTNNB1WNT3ACES2CES1
SCHEMBL1360847 0.78 ALDH1A1 (0.62) ALDH1A1KDM4EHTTCTNNB1WNT3A
SCHEMBL29740682 0.78 ALDH1A1 (0.62) ALDH1A1KDM4EHTTCTNNB1WNT3A
SCHEMBL3422916 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EHTTCTNNB1WNT3A
SCHEMBL11199419 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EHTTCTNNB1WNT3A

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-1994024095-A1 IMMUNOSUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 1994-10-27 WO disclosed