SCHEMBL8114885

SCHEMBL8114885

COC(=O)c1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ MAPT P10636 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ CYP11B2 P19099 2/20 0.47
▸ OPRM1 P35372 1/20 0.46
▸ ALDH1A1 P00352 7/20 0.46
▸ GLA P06280 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KLK7 P49862 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ PIM1 P11309 1/20 0.41

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
SCHEMBL8116054 0.87 ALDH1A1 (0.45) HSD17B10POLBMAPTKDM4ECYP11B2
SCHEMBL8107497 0.87 ALDH1A1 (0.42) HSD17B10POLBMAPTKDM4ECYP11B2
SCHEMBL8122754 0.87 ALDH1A1 (0.61) HSD17B10MAPTKDM4EALDH1A1HTT
SCHEMBL12830162 0.86 RAB9A (0.43) HSD17B10POLBMAPTKDM4ECYP11B2
SCHEMBL8123515 0.85 ALDH1A1 (0.48) HSD17B10POLBMAPTKDM4EALDH1A1
SCHEMBL8124087 0.85 ALDH1A1 (0.51) HSD17B10MAPTKDM4EALDH1A1TDP1
SCHEMBL8123606 0.84 ALDH1A1 (0.47) HSD17B10POLBMAPTKDM4EALDH1A1
SCHEMBL8107319 0.83 HSD17B10 (0.40) HSD17B10POLBMAPTKDM4ECYP11B2
SCHEMBL8121384 0.83 ALDH1A1 (0.44) HSD17B10POLBMAPTKDM4ECYP11B2
SCHEMBL8121433 0.83 HPGD (0.52) HSD17B10POLBMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111670182-A Quinoline derivatives, preparation method and application thereof 东莞市东阳光农药研发有限公司 2020-09-15 — — CN disclosed
WO-2020124515-A1 QUINOLINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF 东莞市东阳光农药研发有限公司 2020-06-25 — — WO disclosed
WO-2020124515-A1 QUINOLINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF 东莞市东阳光农药研发有限公司 2020-06-25 — — WO disclosed
US-6114546-A Aminomethylene derivatives and ultraviolet absorbent comprising thereof CHEMIPRO KASEI KAISHA, LIMITED (JP) 2000-09-05 — — US disclosed
EP-0950655-A1 AMINOMETHYLENE DERIVATIVES AND ULTRAVIOLET ABSORBER COMPRISING THE SAME CHEMIPRO KASEI KAISHA, LIMITED (JP) 1999-10-20 — — EP disclosed
Send feedback