SCHEMBL25396964

SCHEMBL25396964

CC(C)(C)c1ccc2occ(I)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PON1 P27169 1/20 0.40
▸ KIF11 P52732 3/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ HTR1D P28221 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ PLA2G1B P04054 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL13561307 0.79 PON1 (0.41) PON1KIF11ALDH1A1HPGDALOX15
SCHEMBL2707035 0.79 PON1 (0.41) PON1KIF11ALDH1A1HPGDALOX15
SCHEMBL22444956 0.79 ALDH1A1 (0.38) PON1KIF11ALDH1A1HPGDHSD17B10
SCHEMBL23405763 0.78 PON1 (0.40) PON1KIF11ALDH1A1HPGDALOX15
SCHEMBL24779278 0.78 ALDH1A1 (0.44) PON1KIF11ALDH1A1HPGDALOX15
SCHEMBL22815334 0.78 PON1 (0.43) PON1KIF11ALDH1A1HPGDALOX15
SCHEMBL23405765 0.78 PON1 (0.40) PON1KIF11ALDH1A1HPGDALOX15
SCHEMBL25037452 0.75 PON1 (0.51) PON1MAPTHTR1D
SCHEMBL30872231 0.73 AKR1C3 (0.40) PON1ALDH1A1MAPTMEN1KMT2A
SCHEMBL23450954 0.73 AKR1C3 (0.40) PON1ALDH1A1MAPTMEN1KMT2A

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-117440960-A Compound and organic light emitting device comprising the same 株式会社LG化学 2024-01-23 — — CN disclosed
WO-2023172110-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-09-14 — — WO disclosed
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