SCHEMBL30457946

SCHEMBL30457946

C=CCOC(=O)c1csc(-c2cccc(CCC(=O)O)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
FGFR1 P11362 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL21689117 0.81 ALDH1A1 (0.42) CYP3A4CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL21639115 0.81 CYP3A4 (0.40) CYP3A4CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL21664009 0.78 PDE10A (0.45) CYP3A4CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL11003858 0.72 HPGD (0.51) CYP3A4CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL21639262 0.72 MDM4 (0.43)
SCHEMBL29528742 0.72 MDM4 (0.43)
SCHEMBL21639258 0.72 MDM4 (0.43)
SCHEMBL21639038 0.68 RAB9A (0.55) CYP1A2CYP2C19L3MBTL1TDP1RAB9A
SCHEMBL6217194 0.67 CYP3A4 (0.59) CYP3A4CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL29660390 0.67 RAB9A (0.54) CYP3A4CYP1A2CYP2C9HPGDCYP2C19

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-110475785-B Peptide compound, method for producing same, composition for screening, and method for selecting peptide compound 富士胶片株式会社 2023-06-13 CN disclosed