SCHEMBL4744854

SCHEMBL4744854

CC(C)(C)C(=O)CC1CC2C=CC1C2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 3/20 0.37
EPHX2 P34913 2/20 0.35
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
PKM P14618 3/20 0.34
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3675886 0.79 KDM4E (0.43) KDM4EALDH1A1LMNATDP1EPHX2
SCHEMBL8464466 0.79 KDM4E (0.42) KDM4EALDH1A1LMNATDP1EPHX2
SCHEMBL4379431 0.78 KDM4E (0.38) KDM4EALDH1A1LMNATDP1EPHX2
SCHEMBL17331216 0.77 SLC6A12 (0.45) KDM4EALDH1A1LMNATDP1EPHX2
SCHEMBL560786 0.77 SLC6A12 (0.45) KDM4EALDH1A1LMNATDP1EPHX2
SCHEMBL23694121 0.77 SLC6A12 (0.45) KDM4EALDH1A1LMNATDP1EPHX2
SCHEMBL3760676 0.77 KDM4E (0.47) KDM4EALDH1A1LMNATDP1EPHX2
SCHEMBL1787909 0.77 SLC6A12 (0.45) KDM4EALDH1A1LMNATDP1EPHX2
SCHEMBL17934358 0.77 SLC6A12 (0.45) KDM4EALDH1A1LMNATDP1EPHX2
SCHEMBL75258 0.77 SLC6A12 (0.45) KDM4EALDH1A1LMNATDP1EPHX2

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
WO-2019136453-A1 3D IN VITRO MODELS OF LUNG TISSUE THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2019-07-11 WO disclosed
US-20080199805-A1 PHOTOSENSITIVE COMPOSITIONS EMPLOYING SILICON-CONTAINING ADDITIVES FUJIFILM ELECTRONIC MATERIALS. U.S.A., INC. 2008-08-21 US disclosed
WO-2008098189-A1 PHOTOSENSITIVE COMPOSITIONS EMPLOYING SILICON-CONTAINING ADDITIVES FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2008-08-14 WO disclosed