SCHEMBL6263603

SCHEMBL6263603

COc1c(C(=O)CNC(C)(C)Cc2c(C)c(C)cc(C)c2C)ccc(O)c1O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ ADCYAP1R1 P41586 1/20 0.33
▸ MAPT P10636 4/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ TLR2 O60603 1/20 0.32
▸ NSD2 O96028 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ MPI P34949 1/20 0.32
▸ GRK6 P43250 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ TLR1 Q15399 1/20 0.32
▸ TLR6 Q9Y2C9 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ TDO2 P48775 1/20 0.32

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
SCHEMBL6399769 0.89 IDO1 (0.34) MEN1KMT2AL3MBTL1NPC1RAB9A
Hydrochloric Acid SCHEMBL6288796 0.88 IDO1 (0.33) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL6261862 0.82 MEN1 (0.43) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL6261231 0.81 MAPT (0.37) MEN1KMT2AL3MBTL1NPC1RAB9A
Hydrochloric Acid SCHEMBL6399582 0.80 ADRB2 (0.39) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6262196 0.76 ADRB2 (0.40) ADRB2ADRB1ADRB3
SCHEMBL9768254 0.72 MAPT (0.39) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL5894716 0.70 KMT2A (0.49) MEN1KMT2AL3MBTL1NPC1RAB9A
Hydrochloric Acid SCHEMBL5894260 0.69 MEN1 (0.48) MEN1KMT2AL3MBTL1NPC1RAB9A
Hydrochloric Acid SCHEMBL11688977 0.68 ADRB2 (0.41) MEN1KMT2AMAPTALDH1A1LMNA

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
EP-1551792-A1 NOVEL BETA MIMETICS WITH EXTENDED DURATION OF ACTION, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-07-13 — — EP disclosed
WO-2004033412-A1 NOVEL BETA MIMETICS WITH EXTENDED DURATION OF ACTION, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-22 — — WO disclosed
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