SCHEMBL24173686

SCHEMBL24173686

c1ccc(-c2ccc3c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4c(-c4cccc5oc6ccccc6c45)c3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ PLA2G2A P14555 3/20 0.38
▸ PLA2G4A P47712 3/20 0.38
▸ PLA2G10 O15496 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MCL1 Q07820 1/20 0.35
▸ ACMSD Q8TDX5 1/20 0.35
▸ ENPP3 O14638 1/20 0.35
▸ ENPP1 P22413 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NFKB1 P19838 1/20 0.35

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
SCHEMBL25624612 0.95 MCL1 (0.39) CA12CA1CA2CA9PLA2G2A
SCHEMBL23057121 0.95 MCL1 (0.39) CA12CA1CA2CA9PLA2G2A
SCHEMBL25624594 0.94 CA12 (0.39) CA12CA1CA2CA9PLA2G2A
SCHEMBL27010089 0.94 CA12 (0.43) CA12CA1CA2CA9PLA2G2A
SCHEMBL27010087 0.94 CA12 (0.43) CA12CA1CA2CA9TDP1
SCHEMBL26491540 0.94 PLA2G2A (0.40) CA12CA1CA2CA9PLA2G2A
SCHEMBL23057123 0.94 PLA2G2A (0.40) CA12CA1CA2CA9PLA2G2A
SCHEMBL21131842 0.93 CA12 (0.42) CA12CA1CA2CA9PLA2G2A
SCHEMBL25624630 0.93 MCL1 (0.39) CA12CA1CA2CA9PLA2G2A
SCHEMBL23109640 0.92 PLA2G2A (0.43) CA12CA1CA2CA9PLA2G2A

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-20220006063-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2022-01-06 — — US disclosed
Send feedback