SCHEMBL28934299

SCHEMBL28934299

CC1(C)Cc2cc3scc(Nc4ccc(C(C)(C)C)cc4)c3cc2C1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.33
▸ AKR1C2 P52895 2/20 0.33
▸ BRAF P15056 1/20 0.32
▸ SLC2A1 P11166 1/20 0.32
▸ CSNK1D P48730 1/20 0.31
▸ CSNK1G2 P78368 1/20 0.31
▸ PTGIR P43119 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ OPRD1 P41143 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
SCHEMBL30679842 1.00 AKR1C3 (0.33) AKR1C3AKR1C2BRAFSLC2A1CSNK1D
SCHEMBL28705731 0.80 SLC2A1 (0.34) AKR1C3AKR1C2BRAFSLC2A1CSNK1D
SCHEMBL23442436 0.80 AKR1C3 (0.35) AKR1C3AKR1C2BRAFSLC2A1CSNK1D
SCHEMBL23444395 0.80 KDM4E (0.44) AKR1C3AKR1C2SLC2A1CSNK1DCSNK1G2
SCHEMBL29292676 0.76 KDM4E (0.41) AKR1C3AKR1C2SLC2A1CSNK1DCSNK1G2
SCHEMBL25952526 0.75 L3MBTL1 (0.41) AKR1C3AKR1C2SLC2A1KDM4E
SCHEMBL25104186 0.75 KDM4E (0.38) AKR1C3AKR1C2SLC2A1CSNK1DCSNK1G2
SCHEMBL21625855 0.74 KIF11 (0.43) AKR1C3AKR1C2PTGIROPRD1
SCHEMBL30505555 0.74 KIF11 (0.43) AKR1C3AKR1C2PTGIROPRD1
SCHEMBL24005106 0.73 PKM (0.46) AKR1C3AKR1C2

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
CN-113906580-B Organic light-emitting element 株式会社LG化学 2023-12-08 — — CN disclosed
CN-113906580-A Organic light emitting element 株式会社LG化学 2022-01-07 — — CN disclosed
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