SCHEMBL28064703

SCHEMBL28064703

O=COc1cccc2oc3ccccc3c12.[BaH2]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.49
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ GLA P06280 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ PGAM1 P18669 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ADRB2 P07550 1/20 0.40
▸ CDC14B O60729 1/20 0.40
▸ CDC14A Q9UNH5 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL516364 0.98 MAOA (0.50) MAOAALDH1A1KDM4EGLACYP3A4
SCHEMBL3837760 0.87 MAOA (0.67) MAOAALDH1A1KDM4EGLACYP3A4
SCHEMBL29120501 0.79 MAOA (0.51) MAOAALDH1A1KDM4EGLACYP3A4
SCHEMBL28599458 0.77 ALDH1A1 (0.39) MAOAALDH1A1KDM4EMAPTHPGD
SCHEMBL5026754 0.74 MAOA (0.74) MAOAALDH1A1KDM4EGLACYP3A4
SCHEMBL6002951 0.74 MAOA (0.50) MAOAALDH1A1KDM4EGLACYP3A4
SCHEMBL28990434 0.74 MAOA (0.50) MAOAALDH1A1KDM4EGLACYP3A4
SCHEMBL4633741 0.74 MAOA (0.50) MAOAALDH1A1KDM4EGLACYP3A4
SCHEMBL2685825 0.73 MAOA (0.49) MAOAALDH1A1KDM4EGLACYP3A4
SCHEMBL6243341 0.72 MAOA (0.49) MAOAALDH1A1KDM4EGLACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105712960-B Barium dibenzofuran formate compound and preparation method thereof, anion initiation system and preparation method of conjugated diene polymer 中国石油化工股份有限公司 2018-01-23 — — CN claimed
CN-105712960-A Barium dibenzofuran formate compound and preparation method thereof, anion initiation system and preparation method of conjugated diene polymer 中国石油化工股份有限公司 2016-06-29 — — CN claimed
CN-105712960-B Barium dibenzofuran formate compound and preparation method thereof, anion initiation system and preparation method of conjugated diene polymer 中国石油化工股份有限公司 2018-01-23 — — CN disclosed
CN-105712960-B Barium dibenzofuran formate compound and preparation method thereof, anion initiation system and preparation method of conjugated diene polymer 中国石油化工股份有限公司 2018-01-23 — — CN disclosed
CN-105712960-B Barium dibenzofuran formate compound and preparation method thereof, anion initiation system and preparation method of conjugated diene polymer 中国石油化工股份有限公司 2018-01-23 — — CN disclosed
CN-105712960-A Barium dibenzofuran formate compound and preparation method thereof, anion initiation system and preparation method of conjugated diene polymer 中国石油化工股份有限公司 2016-06-29 — — CN disclosed
CN-105712960-A Barium dibenzofuran formate compound and preparation method thereof, anion initiation system and preparation method of conjugated diene polymer 中国石油化工股份有限公司 2016-06-29 — — CN disclosed
CN-105712960-A Barium dibenzofuran formate compound and preparation method thereof, anion initiation system and preparation method of conjugated diene polymer 中国石油化工股份有限公司 2016-06-29 — — CN disclosed
Send feedback