SCHEMBL29125830

SCHEMBL29125830

CCc1ccccc1OCc1n[nH]c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 2/20 0.49
▸ BRS3 P32247 1/20 0.47
▸ MAPT P10636 3/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TSHR P16473 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ GLA P06280 1/20 0.42
▸ PDE9A O76083 1/20 0.41
▸ PDE1A P54750 1/20 0.41
▸ PDE1B Q01064 1/20 0.41
▸ PDE1C Q14123 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ MCL1 Q07820 1/20 0.39
▸ ANXA2 P07355 1/20 0.38
▸ S100A10 P60903 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HTR1A P08908 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
SCHEMBL29125971 0.87 NISCH (0.48) NISCHBRS3MAPTL3MBTL1NPSR1
SCHEMBL29125707 0.83 RAB9A (0.55) NISCHBRS3MAPTNPSR1TSHR
SCHEMBL29125683 0.80 TSHR (0.51) BRS3MAPTL3MBTL1TSHRHTT
SCHEMBL13793881 0.76 L3MBTL1 (0.60) NISCHMAPTL3MBTL1NPSR1TSHR
SCHEMBL29125822 0.76 RAB9A (0.54) L3MBTL1TSHRHCAR2MEN1KMT2A
SCHEMBL29125708 0.75 BRS3 (0.39) BRS3MAPTTSHRALDH1A1GLA
SCHEMBL29125998 0.75 BRS3 (0.39) BRS3MAPTTSHRGLATP53
SCHEMBL29125895 0.72 SOD1 (0.56) L3MBTL1TSHRALDH1A1HTTHCAR2
SCHEMBL30788473 0.72 SOD1 (0.56) L3MBTL1TSHRALDH1A1HTTHCAR2
SCHEMBL9287657 0.72 HCAR2 (0.47) NISCHMAPTL3MBTL1NPSR1ALDH1A1

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-117247361-A Phenol-oxazolone/thioketone compound and synthetic method and application thereof 吉首大学 2023-12-19 — — CN disclosed
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