SCHEMBL28429012

SCHEMBL28429012

NC(=O)SCc1ccco1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
TSHR P16473 1/20 0.49
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
ALDH1A1 P00352 9/20 0.45
MAPT P10636 5/20 0.45
HPGD P15428 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
HSD17B10 Q99714 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALOX12 P18054 1/20 0.43
POLB P06746 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PTPN7 P35236 1/20 0.42
GAA P10253 1/20 0.42
EPHX2 P34913 1/20 0.41

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
SCHEMBL5491879 0.82 TSHR (0.54) ALOX5TSHRMAOBMAOAALDH1A1
SCHEMBL6040576 0.81 KMT2A (0.46) ALOX5TSHRMAOBMAOAALDH1A1
SCHEMBL526409 0.81 ALDH1A1 (0.53) ALOX5TSHRMAOBMAOAALDH1A1
SCHEMBL8555614 0.79 ALDH1A1 (0.59) ALOX5TSHRALDH1A1MAPTHPGD
SCHEMBL1532547 0.78 ALDH1A1 (0.48) ALOX5TSHRMAOBMAOAALDH1A1
SCHEMBL11337834 0.78 MAOB (0.51) TSHRMAOBMAOAALDH1A1MAPT
SCHEMBL1960672 0.77 ALOX5 (0.47) ALOX5TSHRALDH1A1MAPTHPGD
SCHEMBL11438998 0.76 KMT2A (0.44) TSHRMAOBMAOAALDH1A1MAPT
SCHEMBL11328058 0.75 TSHR (0.44) TSHRMAOBMAOAALDH1A1MAPT
SCHEMBL16201960 0.75 TSHR (0.44) ALOX5TSHRMAOBMAOAALDH1A1

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-109568166-B Fragrance materials 宝洁公司 2022-01-28 CN disclosed
CN-104837973-B Fragrance materials 宝洁公司 2020-04-21 CN disclosed