SCHEMBL28826468

SCHEMBL28826468

CC(C)CC1CC2C=CC1C2.CCC1CC2C=CC1C2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL465320 0.92 KDM4E (0.47) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL109060 0.88
Ethylene SCHEMBL9419360 0.84 KDM4E (0.52) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL14117842 0.78 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL7531435 0.78 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL6859763 0.78 KDM4E (0.47) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL13346726 0.78 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL19689430 0.77 KDM4E (0.44) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL27093641 0.77 KDM4E (0.42) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL3268654 0.76 KDM4E (0.36) KDM4EALDH1A1MEN1KMT2AHTT

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
CN-105492489-A Liquid molding compositions MATERIA INC 2016-04-13 CN disclosed
CN-105452325-A Thermal insulation MATERIA INC 2016-03-30 CN disclosed