SCHEMBL28739714

SCHEMBL28739714

CC(C)(C)OC(=O)N1Cc2cc(Br)c(C=O)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.50
▸ NR1H2 P55055 2/20 0.46
▸ ESR2 Q92731 1/20 0.44
▸ DDB1 Q16531 2/20 0.41
▸ CRBN Q96SW2 2/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NAMPT P43490 3/20 0.38
▸ PRKDC P78527 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37
▸ ABHD6 Q9BV23 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35

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
SCHEMBL31198112 0.91 ESR2 (0.57) HDAC1NR1H2ESR2DDB1CRBN
SCHEMBL23727210 0.83 HDAC1 (0.47) HDAC1NR1H2ESR2DDB1CRBN
SCHEMBL29835125 0.83 HDAC1 (0.47) HDAC1NR1H2ESR2DDB1CRBN
SCHEMBL24182517 0.81 HDAC1 (0.46) HDAC1NR1H2ESR2DDB1CRBN
SCHEMBL31447592 0.80 NR1H2 (0.54) HDAC1NR1H2ESR2DDB1CRBN
SCHEMBL17221201 0.80 HDAC1 (0.49) HDAC1NR1H2ESR2DDB1CRBN
SCHEMBL24761584 0.79 ABHD6 (0.50) HDAC1NR1H2ESR2DDB1CRBN
SCHEMBL16417177 0.79 HDAC1 (0.48) HDAC1NR1H2ESR2DDB1CRBN
SCHEMBL19358065 0.78 HDAC1 (0.51) HDAC1NR1H2ESR2DDB1CRBN
SCHEMBL23727968 0.78 HDAC1 (0.47) HDAC1NR1H2ESR2DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109456324-B Isoindoline or isoquinoline compounds, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-04-22 — — CN disclosed
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