SCHEMBL28801469

SCHEMBL28801469

COC(=O)CCc1cc(C)cnc1OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC13A5 Q86YT5 3/20 0.43
▸ SLC13A2 Q13183 1/20 0.43
▸ SLC13A3 Q8WWT9 1/20 0.43
▸ CCNC P24863 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ F2 P00734 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CYP11B1 P15538 1/20 0.32

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
SCHEMBL1135121 0.81 SLC13A5 (0.43) SLC13A5SLC13A2SLC13A3KDM4ELMNA
SCHEMBL1915182 0.77 ATM (0.41) SLC13A5SLC13A2SLC13A3CCNCCDK8
SCHEMBL28801471 0.75 AGBL2 (0.42) SLC13A5SLC13A2SLC13A3CCNCCDK8
SCHEMBL27465508 0.72 NOS3 (0.41) SLC13A5SLC13A2SLC13A3LMNAALDH1A1
SCHEMBL31168612 0.71 KDM4E (0.41) CCNCCDK8KDM4ELMNAMAPT
SCHEMBL25168223 0.69 LMNA (0.37) SLC13A5SLC13A2SLC13A3KDM4ELMNA
SCHEMBL5348731 0.68 TAAR1 (0.50) LMNAMAPTHSD17B10ALDH1A1HTT
SCHEMBL12808519 0.68 NPSR1 (0.61) CCNCCDK8KDM4ELMNAMAPT
SCHEMBL12218698 0.67 DPP4 (0.40) SLC13A5SLC13A2SLC13A3KDM4EMAPT
SCHEMBL27383378 0.67 AMY1A (0.46) KDM4ELMNAMAPTHSD17B10ALDH1A1

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
CN-102762560-A Disubstituted heteroaryl-fused pyridines NOVARTIS AG 2012-10-31 — — CN disclosed
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