SCHEMBL28469002

SCHEMBL28469002

CCCCCC(=O)Sc1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.53
MAPT P10636 6/20 0.53
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HSD17B3 P37058 6/20 0.41
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
PLA2G2A P14555 1/20 0.40
PLA2G5 P39877 1/20 0.40

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
SCHEMBL28477567 0.98 HPGD (0.51) HPGDMAPTALDH1A1HSD17B10L3MBTL1
SCHEMBL28474544 0.98 HPGD (0.51) HPGDMAPTALDH1A1HSD17B10L3MBTL1
SCHEMBL28474571 0.98 HPGD (0.51) HPGDMAPTALDH1A1HSD17B10L3MBTL1
SCHEMBL21605354 0.94 HPGD (0.54) HPGDMAPTALDH1A1HSD17B10L3MBTL1
SCHEMBL28900462 0.89 HPGD (0.56) HPGDMAPTALDH1A1HSD17B10L3MBTL1
SCHEMBL20121232 0.85 MAPT (0.53) HPGDMAPTALDH1A1HSD17B10
SCHEMBL14722425 0.81 CES2 (0.54) ALDH1A1HSD17B10PPARGPPARACES2
SCHEMBL29060487 0.81 CES2 (0.54) ALDH1A1HSD17B10PPARGPPARACES2
SCHEMBL21357337 0.81 TP53 (0.53) MAPTALDH1A1HSD17B3
SCHEMBL28294801 0.81 TPSAB1 (0.40) MAPTALDH1A1HSD17B3

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-109796383-B 1-thiophenyl-N-acetyl-2-naphthylamine and its derivative and synthesis method 湘潭大学 2020-09-18 CN claimed
CN-109796383-B 1-thiophenyl-N-acetyl-2-naphthylamine and its derivative and synthesis method 湘潭大学 2020-09-18 CN disclosed