SCHEMBL29315870

SCHEMBL29315870

c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccc(-c6cccc(-c7c8ccccc8c(-c8cccc9oc%10ccccc%10c89)c8ccccc78)c6)cc5c4)cc3)c3ccccc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ PLA2G2A P14555 2/20 0.37
▸ PLA2G4A P47712 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ ACMSD Q8TDX5 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PLA2G10 O15496 1/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ GPR84 Q9NQS5 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RAB9A P51151 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
SCHEMBL29315922 0.96 PLA2G2A (0.38) CA12CA1CA2CA9PLA2G2A
SCHEMBL26949955 0.94 TDP1 (0.37) CA12CA1CA2CA9PLA2G2A
SCHEMBL26949831 0.94 TDP1 (0.37) CA12CA1CA2CA9PLA2G2A
SCHEMBL27305903 0.94 CA12 (0.42) CA12CA1CA2CA9PLA2G2A
SCHEMBL29315873 0.93 PLA2G2A (0.40) CA12CA1CA2CA9PLA2G2A
SCHEMBL26949957 0.92 HSD17B1 (0.39) PLA2G2APLA2G4ATDP1L3MBTL1ALDH1A1
SCHEMBL26949747 0.92 TDP1 (0.38) CA12CA1CA2CA9TDP1
SCHEMBL26949845 0.92 ESR1 (0.39) CA12CA1CA2CA9PLA2G2A
SCHEMBL26950090 0.92 ESR1 (0.37) CA1CA2CA9PLA2G2APLA2G4A
SCHEMBL26949832 0.92 ESR1 (0.37) CA1CA2CA9PLA2G2APLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240237383-A1 ORGANIC ELECTROLUMINESCENT DEVICE SFC CO., LTD. (KR) 2024-07-11 — — US disclosed
US-20240237383-A1 ORGANIC ELECTROLUMINESCENT DEVICE SFC CO., LTD. (KR) 2024-07-11 — — US disclosed
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