SCHEMBL21552136

SCHEMBL21552136

CCCCC(=NOC(C)=O)c1ccc2c(c1)C(C)(C)c1cc(Sc3ccccc3)ccc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RARB P10826 1/20 0.35
▸ RARG P13631 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ CYP26A1 O43174 1/20 0.33
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ PPARG P37231 4/20 0.32
▸ PPARA Q07869 4/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ MTNR1A P48039 1/20 0.31
▸ MTNR1B P49286 1/20 0.31
▸ CNR1 P21554 2/20 0.31
▸ CNR2 P34972 2/20 0.31
▸ CTSK P43235 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ BCL2 P10415 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
SCHEMBL21551988 0.85 KDM4E (0.35) ALDH1A1HPGDRARBRARGRXRA
SCHEMBL21560541 0.85 KDM4E (0.35) ALDH1A1HPGDRARBRARGRXRA
SCHEMBL18012773 0.83 CA2 (0.38) ALDH1A1RXRARXRBRXRGPKM
SCHEMBL21551838 0.82 RARB (0.41) ALDH1A1HPGDRARBRARGRXRA
SCHEMBL9112717 0.80 ALDH1A1 (0.46) ALDH1A1HPGDPPARGPPARAPKM
SCHEMBL9110697 0.78 HPGD (0.50) ALDH1A1HPGDPPARGPPARAMTNR1A
SCHEMBL18012775 0.76 PKM (0.41) CYP26A1PDK2PKM
SCHEMBL7065540 0.76 L3MBTL1 (0.42) ALDH1A1HPGDCES2CES1
SCHEMBL21551842 0.76 HPGD (0.44) ALDH1A1HPGDRARBRARGRXRA
SCHEMBL13541031 0.75 CES2 (0.42) ALDH1A1HPGDPPARGPPARACES2

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
WO-2019216600-A1 NOVEL OXIME ESTER COMPOUND AND PHOTORESIST COMPOSITION COMPRISING SAME 주식회사 트리엘 (KR) 2019-11-14 — — WO disclosed
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