SCHEMBL21551952

SCHEMBL21551952

CC(=NO)C(=O)c1ccc2c(c1)C(C)(C)c1cc(Sc3ccccc3)ccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ RXRA P19793 2/20 0.41
▸ RXRB P28702 2/20 0.41
▸ RXRG P48443 2/20 0.41
▸ RARB P10826 1/20 0.41
▸ RARG P13631 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ CYP26A1 O43174 1/20 0.37
▸ BCL2 P10415 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ EZH2 Q15910 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PDK2 Q15119 4/20 0.34
▸ CTSK P43235 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
SCHEMBL21551977 0.88 MAPT (0.38) HPGDALDH1A1RXRARXRBRXRG
SCHEMBL21551828 0.87 HPGD (0.42) HPGDALDH1A1RXRARXRBRXRG
SCHEMBL21552102 0.84 ALDH1A1 (0.38) HPGDALDH1A1RXRARXRBRXRG
SCHEMBL18235871 0.83 POLB (0.46) MAPTPOLBSMN1; SMN2PDK2
SCHEMBL21551842 0.79 HPGD (0.44) HPGDALDH1A1RXRARXRBRXRG
SCHEMBL21551916 0.77 POLB (0.42) MAPTPOLBSMN1; SMN2PDK2
SCHEMBL21551988 0.76 KDM4E (0.35) HPGDALDH1A1RXRARXRBRXRG
SCHEMBL21560541 0.76 KDM4E (0.35) HPGDALDH1A1RXRARXRBRXRG
SCHEMBL21551838 0.75 RARB (0.41) HPGDALDH1A1RXRARXRBRXRG
SCHEMBL29591921 0.74 MAOA (0.47) HPGDALDH1A1RXRARXRBRXRG

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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