SCHEMBL28986074

SCHEMBL28986074

CC(C)(C)c1ccc(Nc2ccc(O)cc2C2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.39
▸ AKR1C2 P52895 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ TYR P14679 1/20 0.38
▸ UQCRB P14927 2/20 0.35
▸ DEGS1 O15121 1/20 0.33
▸ SLC2A1 P11166 1/20 0.32
▸ PRKD3 O94806 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ PRKCG P05129 1/20 0.32
▸ PRKCB P05771 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ PRKCA P17252 1/20 0.32
▸ PRKCH P24723 1/20 0.32
▸ PRKCI P41743 1/20 0.32
▸ ABL2 P42684 1/20 0.32
▸ PRKCE Q02156 1/20 0.32
▸ PRKCQ Q04759 1/20 0.32
▸ PRKCZ Q05513 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
SCHEMBL25213302 0.74 HIF1A (0.40) AKR1C3AKR1C2LMNATYRUQCRB
SCHEMBL28986072 0.73 P2RY1 (0.30) AKR1C3AKR1C2
SCHEMBL30569512 0.65 AKR1C3 (0.39) AKR1C3AKR1C2SLC2A1FGFR2HIF1A
SCHEMBL24126531 0.65 AKR1C3 (0.39) AKR1C3AKR1C2SLC2A1FGFR2HIF1A
SCHEMBL24084746 0.64 AKR1C3 (0.41) AKR1C3AKR1C2LMNASLC2A1FGFR2
SCHEMBL28194326 0.64 AKR1C3 (0.49) AKR1C3AKR1C2LMNASLC2A1FGFR2
SCHEMBL6324479 0.64 CYP3A4 (0.63) LMNATYRUQCRBNLRP3MAPT
SCHEMBL502051 0.63 AKR1C3 (0.48) AKR1C3AKR1C2LMNATYRSLC2A1
SCHEMBL18365185 0.62 AKR1C3 (0.44) AKR1C3AKR1C2LMNATYRUQCRB
SCHEMBL49741 0.62 TSHR (0.52) AKR1C3AKR1C2LMNATYRDHODH

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
CN-115968592-A Organic light emitting device comprising organic compound 株式会社LG化学 2023-04-14 — — CN disclosed
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