SCHEMBL30343196

SCHEMBL30343196

CCSc1ccccc1NC(=O)CCC(c1ccc(Nc2ccccc2)cc1)c1ccc(Nc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.48
▸ HPGD P15428 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ LTA4H P09960 1/20 0.47
▸ CETP P11597 2/20 0.45
▸ EPHX2 P34913 1/20 0.44
▸ GAA P10253 2/20 0.44
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HDAC3 O15379 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ MAPK1 P28482 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL30343190 0.91 CETP (0.45) MAPTHPGDALDH1A1LTA4HCETP
SCHEMBL30343192 0.89 CETP (0.43) ALDH1A1CETPEPHX2MEN1KMT2A
SCHEMBL30343194 0.87 KMT2A (0.42) HPGDALDH1A1CETPEPHX2GAA
SCHEMBL30343191 0.85 CETP (0.44) MAPTHPGDALDH1A1LTA4HCETP
SCHEMBL28346162 0.74 CETP (0.54) MAPTHPGDALDH1A1CETPGAA
SCHEMBL11218848 0.71 ALDH1A1 (0.63) MAPTHPGDALDH1A1CETPMEN1
SCHEMBL30513841 0.70 HDAC3 (0.46) MAPTCETPGAAHDAC3HDAC1
SCHEMBL28674605 0.70 FFAR1 (0.51) MAPTALDH1A1CETPMEN1KMT2A
SCHEMBL28277559 0.69 MAPT (0.62) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL28693497 0.68 CETP (0.48) MAPTHPGDALDH1A1CETPGAA

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
CN-113861086-B Synthesis method of sulfur-containing gamma, gamma-diarylamine butyrylamide compound 温州大学 2023-04-07 — — CN disclosed
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