SCHEMBL29315922

SCHEMBL29315922

c1cc(-c2ccc3ccc(-c4ccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)cc4)cc3c2)cc(-c2c3ccccc3c(-c3cccc4oc5ccccc5c34)c3ccccc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 3/20 0.38
▸ PLA2G4A P47712 3/20 0.38
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ PLA2G10 O15496 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ PIM1 P11309 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ FYN P06241 1/20 0.33

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
SCHEMBL26949831 0.98 TDP1 (0.37) PLA2G2APLA2G4ACA12CA1CA2
SCHEMBL26949955 0.98 TDP1 (0.37) PLA2G2APLA2G4ACA12CA1CA2
SCHEMBL29315870 0.96 CA12 (0.38) PLA2G2APLA2G4ACA12CA1CA2
SCHEMBL26949747 0.95 TDP1 (0.38) CA12CA1CA2CA9TDP1
SCHEMBL29315873 0.94 PLA2G2A (0.40) PLA2G2APLA2G4ACA12CA1CA2
SCHEMBL26949845 0.93 ESR1 (0.39) PLA2G2APLA2G4ACA12CA1CA2
SCHEMBL26950090 0.93 ESR1 (0.37) PLA2G2APLA2G4ACA1CA2CA9
SCHEMBL26949832 0.93 ESR1 (0.37) PLA2G2APLA2G4ACA1CA2CA9
SCHEMBL26949957 0.93 HSD17B1 (0.39) PLA2G2APLA2G4ATDP1L3MBTL1ALDH1A1
SCHEMBL22063079 0.91 HSD17B1 (0.40) PLA2G2APLA2G4ATDP1L3MBTL1ALDH1A1

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