SCHEMBL6933016

SCHEMBL6933016

COC(=O)CC(=O)CCc1ccccc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
LMNA P02545 1/20 0.51
SIRT2 Q8IXJ6 2/20 0.45
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
MAPK8 P45983 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
F2RL1 P55085 1/20 0.37
CTSD P07339 1/20 0.37
HSD17B10 Q99714 3/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL6152498 0.78 ALDH1A1 (0.43) ALDH1A1LMNATSHRKMT2AHTT
SCHEMBL6365140 0.77 ALDH1A1 (0.65) ALDH1A1LMNASIRT2TSHRKMT2A
SCHEMBL5680625 0.76 ALDH1A1 (0.47) ALDH1A1LMNASIRT2TSHRKMT2A
SCHEMBL4735612 0.76 ALDH1A1 (0.54) ALDH1A1LMNASIRT2TSHRKMT2A
SCHEMBL8412585 0.76 ALDH1A1 (0.78) ALDH1A1LMNATSHRKMT2AHTT
SCHEMBL364447 0.76 TSHR (0.53) ALDH1A1LMNASIRT2TSHRKMT2A
SCHEMBL5157746 0.75 ALDH1A1 (0.45) ALDH1A1LMNASIRT2TSHRKMT2A
SCHEMBL17871919 0.75 KEAP1 (0.50) ALDH1A1LMNASIRT2TSHRMAPK1
SCHEMBL6949395 0.75 PTPN1 (0.48) ALDH1A1LMNATSHRKMT2ASMN1; SMN2
SCHEMBL4243105 0.74 ALDH1A1 (0.57) ALDH1A1LMNATSHRCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106536725-A System, method and apparatus for providing enrollment of devices in a network C-乐克塔股份有限公司 2017-03-22 CN disclosed
EP-0771812-B1 Method for producing an optically active diphosphine TAKASAGO PERFUMERY CO LTD (JP) 2003-12-10 EP disclosed
EP-0850945-B1 Chiral diphosphine compound, intermediate for preparing the same, transition metal complex having the same diphosphine compound as ligand and asymmetric hydrogenation catalyst TAKASAGO PERFUMERY CO LTD (JP) 2002-11-27 EP disclosed
US-5872273-A LIGANDS FOR FORMING HYDROGENATION CATALYST COMPLEXES TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-02-16 US disclosed
EP-0850945-A1 Chiral diphosphine compound, intermediate for preparing the same, transition metal complex having the same diphosphine compound as ligand and asymmetric hydrogenation catalyst Takasago International Corporation (JP) 1998-07-01 EP disclosed
US-5693868-A REACTING 2,2'-BIS(TRIFLUOROMETHANESULFONYLOXY)-1,1-BINAPHTHYL WITH A PHOSPHINE OXIDE IN THE PRESENCE OF A TRANSITION METAL-PHOSPHINE COMPLEX TAKASAGO INTERNATIONAL CORPORATION (JP) 1997-12-02 US disclosed
EP-0771812-A1 Method for producing an optically active diphosphine Takasago International Corporation (JP) 1997-05-07 EP disclosed