SCHEMBL21551828

SCHEMBL21551828

CCC1(CC)c2cc(Sc3ccccc3)ccc2-c2ccc(C(=O)C(C)=NO)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ RARB P10826 1/20 0.37
▸ RARG P13631 1/20 0.37
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ BCL2 P10415 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP26A1 O43174 1/20 0.33
▸ PDK2 Q15119 5/20 0.32
▸ CTSK P43235 1/20 0.32
▸ EZH2 Q15910 1/20 0.32

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
SCHEMBL21551952 0.87 HPGD (0.44) HPGDALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL18012644 0.86 MAPT (0.48) MAPTPOLBSMN1; SMN2PDK2
SCHEMBL21560725 0.86 ALDH1A1 (0.37) HPGDALDH1A1RARBRARGRXRA
SCHEMBL18235861 0.85 POLB (0.43) MAPTPOLBSMN1; SMN2PDK2
SCHEMBL29089351 0.85 POLB (0.43) MAPTPOLBSMN1; SMN2PDK2
SCHEMBL30617329 0.85 POLB (0.43) MAPTPOLBSMN1; SMN2PDK2
SCHEMBL21552335 0.82 HPGD (0.43) HPGDALDH1A1MAPTSMN1; SMN2RARB
SCHEMBL21552102 0.81 ALDH1A1 (0.38) HPGDALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL21551977 0.76 MAPT (0.38) HPGDALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL18012760 0.74 POLB (0.38) ALDH1A1MAPTPOLBSMN1; SMN2PDK2

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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