SCHEMBL28290229

SCHEMBL28290229

COc1ccc(C(C)(C)C)c2c1Cc1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
HIF1A Q16665 1/20 0.38
PTGS2 P35354 2/20 0.38
USP2 O75604 1/20 0.38
DUSP3 P51452 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
SCHEMBL9171570 0.84 MAP3K9 (0.39) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL3828187 0.78 PNMT (0.35) MAPTKDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL27447524 0.77 MAP3K9 (0.38) NPC1RAB9ACA1CA2CA4
Hydrochloric Acid SCHEMBL5352097 0.77 MAP3K9 (0.38) NPC1RAB9ADRD1DRD3CA1
SCHEMBL5352093 0.76 MAP3K9 (0.34) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL8158153 0.76 MAP3K9 (0.38) MAPTKDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL5352807 0.75 MAP3K9 (0.39) NPC1RAB9ADRD2DRD3CA1
Hydrochloric Acid SCHEMBL5351379 0.75 MAP3K9 (0.39) NPC1RAB9ADRD2DRD3CA1
SCHEMBL27519928 0.75 MAP3K9 (0.33) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6901862 0.72 DRD1 (0.58) MAPTKDM4EALDH1A1MEN1KMT2A

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-106543310-B A kind of olefin polymerization catalyst system and its application 中国石油化工股份有限公司 2019-06-28 CN disclosed
CN-109694420-A Catalyst system and pre-polymerized catalyst and olefine polymerizing process for olefinic polymerization 中国石油化工股份有限公司 2019-04-30 CN disclosed