SCHEMBL11253706

SCHEMBL11253706

COC(=O)c1cc(N)cc(C)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.51
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 2/20 0.43
GLA P06280 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
CFTR P13569 2/20 0.43
ABL1 P00519 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42

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
SCHEMBL11513901 0.88 GAA (0.58) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL524175 0.83 GAA (0.49) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL11569683 0.81 GAA (0.51) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL13779473 0.81 CA1 (0.50) GAAKDM4EHPGDMAPTCA12
SCHEMBL8395371 0.81 GAA (0.45) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL23796581 0.81 CYP3A4 (0.56) GAAKDM4EHPGDMAPTABL1
SCHEMBL2811429 0.80 GAA (0.53) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL1361427 0.80 KDM4E (0.51) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL22081931 0.80 ABL1 (0.49) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL30689849 0.80 KDM4E (0.56) GAAKDM4EALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4344951-A INSECTICIDES ISHIHARA SANGYO KAISHA LTD. (JP) 1982-08-17 US disclosed
US-4159384-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1979-06-26 US disclosed
US-4123455-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1978-10-31 US disclosed