SCHEMBL21551946

SCHEMBL21551946

CCC(=NO)C(=O)c1cc2c(cc1Sc1ccccc1)C(C)(C)c1cc(Sc3ccccc3)ccc1-2

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 1/20 0.35
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ RXRA P19793 2/20 0.32
▸ RXRB P28702 2/20 0.32
▸ RXRG P48443 2/20 0.32
▸ RARB P10826 1/20 0.32
▸ RARG P13631 1/20 0.32
▸ BCL2 P10415 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ HPGD P15428 2/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ GCK P35557 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CA2 P00918 1/20 0.30
▸ CA4 P22748 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
SCHEMBL21551968 0.81 CYP26A1 (0.37) CYP26A1MAOAMAOBRXRARXRB
SCHEMBL21560533 0.74 HTT (0.39) CYP26A1RXRARXRBRXRGRARB
SCHEMBL21553858 0.74 HTT (0.39) CYP26A1RXRARXRBRXRGRARB
SCHEMBL21551842 0.73 HPGD (0.44) CYP26A1MAOAMAOBRXRARXRB
SCHEMBL21551952 0.73 HPGD (0.44) CYP26A1MAOAMAOBRXRARXRB
SCHEMBL21560535 0.71 SMN1; SMN2 (0.39) RXRARXRBRXRGHPGDCYP2C9
SCHEMBL21551977 0.71 MAPT (0.38) RXRARXRBRXRGRARBRARG
SCHEMBL29387003 0.71 HTT (0.59) HPGDHTTALDH1A1
SCHEMBL29591921 0.69 MAOA (0.47) CYP26A1MAOAMAOBRXRARXRB
SCHEMBL21560541 0.68 KDM4E (0.35) CYP26A1MAOAMAOBRXRARXRB

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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