SCHEMBL28045529

SCHEMBL28045529

CC(C)Cc1ccc(-n2cccc2)c(CC(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.51
▸ GABRB2 P47870 2/20 0.51
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PTGS2 P35354 4/20 0.32
▸ PTGS1 P23219 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ AKR1C3 P42330 2/20 0.32
▸ CXCR1 P25024 2/20 0.32
▸ CXCR2 P25025 2/20 0.32
▸ ALB P02768 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ RARB P10826 1/20 0.32
▸ ADRB3 P13945 1/20 0.32
▸ NFKB1 P19838 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
SCHEMBL28045652 0.73 NPC1 (0.41) MEN1POLBMAPTKMT2ALMNA
SCHEMBL8056210 0.72 VHL (0.55) MEN1POLBMAPTKMT2APTGS2
SCHEMBL278317 0.71 AOC2 (0.47) GABRA1GABRB2MAPTHTR2AHTR2C
SCHEMBL5053439 0.70 GABRA1 (0.62) GABRA1GABRB2MEN1POLBMAPT
SCHEMBL318750 0.68 GABRA1 (1.00) GABRA1GABRB2MEN1POLBMAPT
SCHEMBL7637108 0.68 GABRA1 (0.60) GABRA1GABRB2LMNAAKR1C2
SCHEMBL28045778 0.68 GABRA1 (0.52) GABRA1GABRB2
SCHEMBL11404610 0.67 GABRA1 (0.58) GABRA1GABRB2
SCHEMBL677750 0.67 GABRA1 (0.58) GABRA1GABRB2MEN1POLBMAPT
SCHEMBL11808620 0.67 GABRA1 (0.58) GABRA1GABRB2MEN1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105218711-B A kind of double activated component olefin polymerization catalysis and preparation method 淄博新塑化工有限公司 2017-08-25 — — CN claimed
CN-105218711-A A kind of double activated component olefin polymerization catalysis and preparation method ZIBO XINSU CHEMICAL CO LTD 2016-01-06 — — CN claimed
CN-105218711-A A kind of double activated component olefin polymerization catalysis and preparation method ZIBO XINSU CHEMICAL CO LTD 2016-01-06 — — CN disclosed
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