SCHEMBL9854166

SCHEMBL9854166

CC(C)N(C(=O)NCCCCCCNC(=O)N(C(C)C)C(C)C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA4 P43681 1/20 0.44
EPHX1 P07099 7/20 0.42
ALDH1A1 P00352 2/20 0.41
ALDH1A2 O94788 1/20 0.41
ALDH2 P05091 1/20 0.41
ALDH1A3 P47895 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 1/20 0.39
PAOX Q6QHF9 2/20 0.39
EPHX2 P34913 1/20 0.39
CASP2 P42575 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL24977105 0.92 EPHX1 (0.55) EPHX1SMN1; SMN2CASP2
SCHEMBL9474469 0.92 EPHX1 (0.55) EPHX1SMN1; SMN2CASP2
SCHEMBL4373918 0.90 EPHX1 (0.52) EPHX1SMN1; SMN2CASP2
SCHEMBL9474824 0.87 EPHX1 (0.47) CHRNB2CHRNB4CHRNA4EPHX1MEN1
SCHEMBL10272736 0.82 CHRNB2 (0.44) KDM4ECHRNB2CHRNB4CHRNA4EPHX1
SCHEMBL24767329 0.79 CHRNB2 (0.34) KDM4EMAPK1HIF1ACHRNB2CHRNB4
SCHEMBL7771156 0.78 EPHX1 (0.53) EPHX1SMN1; SMN2CASP2
SCHEMBL3276345 0.76 ALDH1A1 (0.41) KDM4ECHRNB2CHRNB4CHRNA4EPHX1
SCHEMBL22559962 0.74 CHRNB2 (0.36) KDM4ECHRNB2CHRNB4CHRNA4ALDH1A1
SCHEMBL3099807 0.73 CHRNB2 (0.54) KDM4EMAPK1HIF1ACHRNB2CHRNB4

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
WO-2020146280-A1 POLYURETHANE HYBRID SOLID ION-CONDUCTIVE COMPOSITIONS Blue Current, Inc. (US) 2020-07-16 WO disclosed
EP-0434316-A1 Processes ZENECA LIMITED (GB) 1991-06-26 EP disclosed