SCHEMBL7529709

SCHEMBL7529709

CCCCOC(=O)[C@@H](N)Cc1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.46
MGLL Q99685 2/20 0.45
DPP4 P27487 3/20 0.44
FAP Q12884 2/20 0.44
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 2/20 0.44
DPP7 Q9UHL4 2/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAOB P27338 1/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
CYP2A6 P11509 1/20 0.40

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
SCHEMBL5109806 0.86 DPP4 (0.47) DPP4FAPDPP8DPP9DPP7
SCHEMBL6161194 0.86 DPP4 (0.47) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL5148984 0.85 DPP4 (0.46) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL5112988 0.85 DPP4 (0.46) DPP4FAPDPP8DPP9DPP7
SCHEMBL6001388 0.83 SLC7A5 (0.54) TSHR
SCHEMBL16084879 0.83 SLC7A5 (0.54) TSHR
SCHEMBL2271874 0.83 SLC7A5 (0.54) TSHR
SCHEMBL14116415 0.82 PPARA (0.48) ALDH1A1ITGB3ITGA2B
SCHEMBL12135751 0.82 FAAH (0.45) ACACBDPP4ALDH1A1ITGB3ITGA2B
SCHEMBL14346818 0.82 LDHA (0.51) ACACBDPP4FAPDPP8DPP9

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
EP-1179529-A1 NOVEL HYDROXAMIC ACID DERIVATIVES Daiichi Fine Chemical Co., Ltd. (JP) 2002-02-13 EP disclosed