SCHEMBL28675744

SCHEMBL28675744

CC[C]1C=Cc2cc(C)ccc21.[LiH]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
NQO1 P15559 1/20 0.32
POR P16435 1/20 0.32
ELANE P08246 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2A6 P11509 2/20 0.31
MAPT P10636 3/20 0.31
MAPK1 P28482 3/20 0.31
TDP1 Q9NUW8 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
GAA P10253 2/20 0.30
TP53 P04637 1/20 0.30
PKM P14618 1/20 0.30
NPC1 O15118 1/20 0.30
MITF O75030 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
SCHEMBL28662104 0.91 MEN1 (0.34) MEN1KMT2A
SCHEMBL4611979 0.83 MAOA (0.34) MEN1KMT2AMAOAMAOBELANE
SCHEMBL28660740 0.74 MAOA (0.37) MEN1KMT2AMAOAMAOBELANE
SCHEMBL20703457 0.72 SETD7 (0.41) MEN1KMT2ACYP1A2MAPTMAPK1
SCHEMBL22616873 0.72 MAOA (0.38) MEN1KMT2AMAOAMAOBELANE
SCHEMBL218377 0.70 SETD7 (0.42) MEN1KMT2ACYP1A2MAPTMAPK1
SCHEMBL28666655 0.70 MAOA (0.37) MEN1KMT2AMAOAMAOBELANE
SCHEMBL11858854 0.68 S100A4 (0.50) MEN1KMT2AMAOAMAOBELANE
SCHEMBL27707601 0.68 SETD7 (0.41) MEN1KMT2ACYP1A2MAPTMAPK1
SCHEMBL27688569 0.68 SETD7 (0.41) MEN1KMT2ACYP1A2MAPTMAPK1

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-113748140-B Metal-ligand complexes 陶氏环球技术有限责任公司 2025-03-11 CN disclosed
CN-113748140-A Metal-ligand complexes 陶氏环球技术有限责任公司 2021-12-03 CN disclosed