SCHEMBL27106986

SCHEMBL27106986

Cc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPT P10636 2/20 0.50
THRB P10828 1/20 0.50
USP2 O75604 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
PDE4B Q07343 1/20 0.49
GPR119 Q8TDV5 5/20 0.48
P2RY14 Q15391 1/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
CRHBP P24387 1/20 0.47
HTT P42858 1/20 0.47
CRHR2 Q13324 1/20 0.47

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
SCHEMBL30837328 1.00 NAMPT (0.51) NAMPTKMT2AMEN1KDM4EHPGD
SCHEMBL29181014 0.88 NAMPT (0.52) NAMPTKMT2AKDM4EMAPTTHRB
SCHEMBL12121564 0.88 ACMSD (0.57) NAMPTKMT2AMEN1KDM4EHPGD
SCHEMBL23858326 0.85 NAMPT (0.53) NAMPTKMT2AKDM4EMAPTTHRB
SCHEMBL30075838 0.85 NAMPT (0.53) NAMPTKMT2AKDM4EMAPTTHRB
SCHEMBL15380874 0.84 SMN1; SMN2 (0.56) NAMPTKMT2AMEN1KDM4EHPGD
SCHEMBL31130020 0.84 NAMPT (0.52) NAMPTKMT2AKDM4EMAPTTHRB
SCHEMBL7398901 0.83 PDE4B (0.61) NAMPTKMT2AMEN1KDM4EHPGD
SCHEMBL19092740 0.82 NAMPT (0.53) NAMPTKMT2AKDM4EMAPTTHRB
SCHEMBL29776648 0.82 NAMPT (0.53) NAMPTKMT2AKDM4EMAPTTHRB

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-117756703-A Naphthalimide-based coronavirus papain-like protease inhibitors 广州国家实验室 2024-03-26 CN disclosed