SCHEMBL22707874

SCHEMBL22707874

c1ccc(-p2c3ccccc3c3cccc(-c4cccc5c(-c6ccc7ccccc7c6)c6cccc(-c7cccc8c9ccccc9p(-c9ccccc9)c78)c6cc45)c32)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ PIM1 P11309 2/20 0.34
▸ GPR84 Q9NQS5 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SOS1 Q07889 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ ALOX5 P09917 2/20 0.33
▸ GSTP1 P09211 1/20 0.33
▸ FABP3 P05413 1/20 0.32
▸ FABP4 P15090 1/20 0.32
▸ FABP5 Q01469 1/20 0.32
▸ HSD17B1 P14061 1/20 0.31
▸ HSD17B2 P37059 1/20 0.31
▸ ADORA2A P29274 1/20 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
SCHEMBL22707144 0.96 ALOX5 (0.35) HDAC4HDAC2HDAC8PIM1GPR84
SCHEMBL22706025 0.94 HDAC4 (0.36) HDAC4HDAC2HDAC8PIM1GPR84
SCHEMBL22707122 0.87 — —
SCHEMBL22707367 0.87 ESR1 (0.30) —
SCHEMBL22706663 0.86 HDAC4 (0.36) HDAC4HDAC2HDAC8PIM1GPR84
SCHEMBL22705950 0.85 — —
SCHEMBL22705948 0.85 GPR84 (0.35) GPR84CYP1A2TSHRCYP2C19SOS1
SCHEMBL22707881 0.85 KDM4E (0.38) GPR84TSHRHSD17B1HSD17B2KDM4E
SCHEMBL22706005 0.84 CES1 (0.37) GPR84CYP1A2TSHRSOS1HIF1A
SCHEMBL22706142 0.84 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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