SCHEMBL22707144

SCHEMBL22707144

c1ccc(-p2c3ccccc3c3cccc(-c4cccc5c(-c6ccc7cc8ccccc8cc7c6)c6cccc(-c7cccc8c9ccccc9p(-c9ccccc9)c78)c6cc45)c32)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.35
▸ PIM1 P11309 2/20 0.31
▸ GPR84 Q9NQS5 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ SOS1 Q07889 1/20 0.30
▸ HIF1A Q16665 1/20 0.30

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
SCHEMBL22707874 0.96 HDAC4 (0.34) ALOX5PIM1GPR84HDAC4HDAC2
SCHEMBL22706025 0.90 HDAC4 (0.36) ALOX5PIM1GPR84HDAC4HDAC2
SCHEMBL22707141 0.87 ALOX5 (0.34) ALOX5PIM1GPR84HDAC4HDAC2
SCHEMBL22706005 0.86 CES1 (0.37) ALOX5GPR84CYP1A2TSHRSOS1
SCHEMBL22707122 0.86 — —
SCHEMBL22707367 0.86 ESR1 (0.30) —
SCHEMBL22705950 0.84 — —
SCHEMBL22705948 0.84 GPR84 (0.35) GPR84CYP1A2TSHRCYP2C19SOS1
SCHEMBL22707881 0.84 KDM4E (0.38) GPR84TSHR
SCHEMBL22706142 0.83 GPR84 (0.35) GPR84CYP1A2TSHRCYP2C19SOS1

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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