SCHEMBL22706029

SCHEMBL22706029

c1ccc(-p2c3ccccc3c3c(-c4cccc5c(-c6c7cccc(-c8ccc9ccccc9c8)c7cc7c(-c8ccc9ccccc9c8)cccc67)c6cccc(-c7cccc8c7c7ccccc7p8-c7ccccc7)c6cc45)cccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ GPR84 Q9NQS5 1/20 0.35
▸ PIM1 P11309 2/20 0.35
▸ GSTP1 P09211 1/20 0.34
▸ S1PR5 Q9H228 6/20 0.32
▸ S1PR4 O95977 5/20 0.32
▸ PRKDC P78527 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ ACMSD Q8TDX5 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ MET P08581 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ CASP1 P29466 2/20 0.31
▸ HIF1A Q16665 2/20 0.31

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
SCHEMBL22706663 0.94 HDAC4 (0.36) HDAC4HDAC2HDAC8GPR84PIM1
SCHEMBL22707141 0.91 ALOX5 (0.34) HDAC4HDAC2HDAC8GPR84PIM1
SCHEMBL22705951 0.87 ALDH1A1 (0.35) GPR84MCL1ACMSDALDH1A1HPGD
SCHEMBL22705956 0.87 PRKDC (0.32) GPR84PRKDC
SCHEMBL22706025 0.87 HDAC4 (0.36) HDAC4HDAC2HDAC8GPR84PIM1
SCHEMBL22706001 0.86 CES1 (0.39) GPR84ALDH1A1HPGDTSHRMAPK1
SCHEMBL22705952 0.85 — —
SCHEMBL22707121 0.84 — —
SCHEMBL22707739 0.84 ALDH1A1 (0.34) GPR84MCL1ACMSDALDH1A1HPGD
SCHEMBL22707369 0.83 — —

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
US-20200373496-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-11-26 — — US disclosed
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