SCHEMBL9735111

SCHEMBL9735111

O=C1CCC(C(=O)N2CCN(CC(=O)N3CCSCC3)CC2)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
TGM2 P21980 1/20 0.40
NAMPT P43490 6/20 0.39
PARP1 P09874 1/20 0.39
EPHX2 P34913 1/20 0.38
GAA P10253 3/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
USP2 O75604 2/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33

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
Maleic Acid SCHEMBL9734878 0.93 TPSAB1 (0.40) TPSAB1TPSD1TPSG1TGM2NAMPT
SCHEMBL9734807 0.88 GAA (0.46) TPSAB1TPSD1TPSG1TGM2NAMPT
SCHEMBL9735768 0.87 GAA (0.49) TPSAB1TPSD1TPSG1TGM2NAMPT
SCHEMBL9735396 0.87 GAA (0.51) TPSAB1TPSD1TPSG1TGM2NAMPT
SCHEMBL9735521 0.87 TGM2 (0.45) TPSAB1TPSD1TPSG1TGM2NAMPT
SCHEMBL9735518 0.87 TGM2 (0.45) TPSAB1TPSD1TPSG1TGM2NAMPT
SCHEMBL9734899 0.86 GAA (0.54) TPSAB1TPSD1TPSG1TGM2NAMPT
SCHEMBL8824243 0.85 ALOX15 (0.51) TPSAB1TPSD1TPSG1TGM2NAMPT
SCHEMBL9734759 0.84 TSHR (0.56) TPSAB1TPSD1TPSG1TGM2NAMPT
SCHEMBL9735618 0.81 ALOX15 (0.47) TPSAB1TPSD1TPSG1NAMPTPARP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5102882-A Nootropic agents NIPPON SHINYAKU CO., LTD. (JP) 1992-04-07 US claimed
US-5102882-A Nootropic agents NIPPON SHINYAKU CO., LTD. (JP) 1992-04-07 US disclosed