SCHEMBL24256453

SCHEMBL24256453

CC(C)(O)C(C)(C)OBc1ccc(Cl)c2oc3ccccc3c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 4/20 0.37
▸ MAOA P21397 1/20 0.33
▸ CYP17A1 P05093 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ TTR P02766 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ ALPI P09923 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PKM P14618 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
SCHEMBL24030773 0.90 AHR (0.37) AHRMAOAADRB2MEN1KMT2A
SCHEMBL24066197 0.86 — —
SCHEMBL23947331 0.84 PDE4A (0.33) —
SCHEMBL23946793 0.84 TDO2 (0.33) —
SCHEMBL23946719 0.83 SMN1; SMN2 (0.37) AHRMAOAADRB2MEN1KMT2A
SCHEMBL24686514 0.83 MEN1 (0.33) ADRB2MEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL22316785 0.82 ADRB2 (0.36) AHRMAOAADRB2MEN1KMT2A
SCHEMBL23947293 0.82 KDM4E (0.30) KDM4ECYP3A4MAPT
SCHEMBL27451243 0.82 CDC14B (0.44) CYP17A1CYP19A1CYP11B1CYP11B2ADRB2
SCHEMBL19802352 0.82 ADRB2 (0.41) MAOAADRB2MEN1KMT2ASMN1; SMN2

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
EP-4201930-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION FOR ORGANIC MATERIAL LAYER OF ORGANIC LIGHT-EMITTING DEVICE LT Materials Co., Ltd. (KR) 2023-06-28 — — EP disclosed
WO-2022035224-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION FOR ORGANIC MATERIAL LAYER OF ORGANIC LIGHT-EMITTING DEVICE 엘티소재주식회사 2022-02-17 — — WO disclosed
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