SCHEMBL25586342

SCHEMBL25586342

CC(C)(C)c1cccc(Oc2cc(Br)cc(Oc3ccccc3)c2Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ SOD1 P00441 1/20 0.39
▸ IDO1 P14902 1/20 0.38
▸ RIPK1 Q13546 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ EPAS1 Q99814 1/20 0.36
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 1/20 0.36
▸ PGGT1B P53609 1/20 0.36
▸ BRAF P15056 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ GRM2 Q14416 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34

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
SCHEMBL25586333 0.88 MAPT (0.43) RIPK1SLC6A4HTR6LMNAL3MBTL1
SCHEMBL5671239 0.82 CYP2C9 (0.54) CYP3A4CYP2C9CYP2C19SOD1LMNA
SCHEMBL25586323 0.82 LTA4H (0.48) CYP3A4CYP2C9CYP2C19SLC6A4HTR6
SCHEMBL21480279 0.80 ALDH1A1 (0.48) CYP3A4CYP2C9CYP2C19SLC6A4POLB
SCHEMBL18118971 0.76 CYP3A4 (0.59) CYP3A4CYP2C9CYP2C19SOD1FNTA
SCHEMBL25586329 0.75 FFAR4 (0.46) SLC6A4HTR6MAOBALDH1A1
SCHEMBL12952741 0.74 CYP2C9 (0.40) CYP3A4CYP2C9CYP2C19SOD1IDO1
SCHEMBL13009182 0.74 ALDH1A1 (0.55) CYP3A4CYP2C9CYP2C19IDO1BRAF
SCHEMBL22888701 0.74 CYP2C9 (0.48) CYP3A4CYP2C9CYP2C19SOD1FNTA
SCHEMBL14257932 0.74 CYP2C19 (0.51) CYP3A4CYP2C9CYP2C19SOD1IDO1

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-20230165131-A1 LIGHT EMITTING ELEMENT SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-25 — — US disclosed
US-20230165131-A1 LIGHT EMITTING ELEMENT SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-25 — — US disclosed
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