SCHEMBL13689604

SCHEMBL13689604

CC(C)C(C)C(=O)NCC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PTGS2 P35354 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ECE1 P42892 5/20 0.38
METAP1 P53582 1/20 0.36
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL17037424 1.00 ALDH1A1 (0.39) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL17037425 1.00 ALDH1A1 (0.39) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL20798910 0.84 METAP1 (0.39) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL9051943 0.82 ALDH1A1 (0.39) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL3088751 0.81 ALDH1A1 (0.41) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL20366038 0.81 MME (0.46) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL26291258 0.80 DPP4 (0.44) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL8819205 0.80 DPP4 (0.44) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL19853267 0.79 ALDH1A1 (0.40) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL17037466 0.79 ALDH1A1 (0.61) ALDH1A1LMNAMAPTPTGS2TDP1

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-2009106982-A1 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed