SCHEMBL29188114

SCHEMBL29188114

CC(C)CC(=O)Nc1ccc(-c2ccccc2)c(-c2nc3ccc(Cl)cc3o2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.61
▸ ALDH1A1 P00352 5/20 0.59
▸ HSD17B10 Q99714 4/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ USP2 O75604 1/20 0.59
▸ MAPT P10636 4/20 0.57
▸ TP53 P04637 5/20 0.53
▸ HPGD P15428 4/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ TSHR P16473 1/20 0.53
▸ SENP7 Q9BQF6 3/20 0.50
▸ SENP8 Q96LD8 2/20 0.50
▸ SENP6 Q9GZR1 2/20 0.50
▸ CETP P11597 2/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL30789024 0.84 CASP3 (0.84) CASP3ALDH1A1HSD17B10MAPK1USP2
SCHEMBL23748365 0.84 CASP3 (0.84) CASP3ALDH1A1HSD17B10MAPK1USP2
SCHEMBL30789006 0.83 CASP3 (0.82) CASP3ALDH1A1HSD17B10MAPK1USP2
SCHEMBL23748388 0.83 CASP3 (0.82) CASP3ALDH1A1HSD17B10MAPK1USP2
SCHEMBL29802067 0.71 CASP3 (0.70) CASP3ALDH1A1HSD17B10MAPTTP53
SCHEMBL26932345 0.71 CASP3 (0.70) CASP3ALDH1A1HSD17B10MAPTTP53
SCHEMBL24454913 0.70 NPC1 (0.72) CASP3ALDH1A1HSD17B10MAPTTP53
SCHEMBL2249425 0.70 CASP3 (0.83) CASP3ALDH1A1HSD17B10MAPK1USP2
SCHEMBL24710835 0.69 ALDH1A1 (0.71) CASP3ALDH1A1HSD17B10MAPK1USP2
SCHEMBL30965448 0.69 CASP3 (0.81) CASP3ALDH1A1HSD17B10MAPK1USP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113195084-B Benzoxazoles and related compounds useful as modulators of chaperone mediated autophagy 阿尔伯爱因斯坦医学院 2024-04-09 — — CN claimed
CN-113195084-B Benzoxazoles and related compounds useful as modulators of chaperone mediated autophagy 阿尔伯爱因斯坦医学院 2024-04-09 — — CN disclosed
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