SCHEMBL28839458

SCHEMBL28839458

CC(C)c1ccc2ccccc2c1CCCCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.44
EPHX2 P34913 2/20 0.42
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 2/20 0.40
BCHE P06276 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL9460812 0.80 KCNH2 (0.44) SIGMAR1EPHX2KMT2ABCHEMEN1
SCHEMBL5457448 0.75 NCEH1 (0.43) KMT2A
SCHEMBL28538586 0.74 L3MBTL1 (0.52) KMT2A
SCHEMBL22364125 0.72 KDM4E (0.61) KMT2AMEN1
SCHEMBL20598171 0.72 ALDH1A1 (0.55) SIGMAR1
SCHEMBL9578028 0.71 ALDH1A1 (0.42) KMT2AMEN1
SCHEMBL22042251 0.71 NCEH1 (0.49) KMT2A
SCHEMBL10583447 0.70 MAPT (0.40) KMT2A
SCHEMBL10583442 0.70 KDM4E (0.46) KMT2A
Hydrogen Peroxide SCHEMBL8610670 0.70 TSHR (0.52) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790173-B Carbazoles having diaza-dibenzofuran or diaza-dibenzothiophene structure 默克专利有限公司 2022-09-06 CN disclosed