SCHEMBL29609668

SCHEMBL29609668

Cc1cccc(CC(C(N)=O)c2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.71
POLB P06746 1/20 0.49
CTSB P07858 2/20 0.48
CTSL P07711 1/20 0.48
CTSS P25774 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CHRM1 P11229 5/20 0.46
ACP3 P15309 1/20 0.45
TAAR1 Q96RJ0 2/20 0.44
UBE2N P61088 1/20 0.43
CTBP2 P56545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL28605746 1.00 EPHX1 (0.71) EPHX1POLBCTSBCTSLCTSS
SCHEMBL28609672 0.91 EPHX1 (0.71) EPHX1POLBCTSBCTSLCTSS
SCHEMBL29608984 0.91 EPHX1 (0.71) EPHX1POLBCTSBCTSLCTSS
SCHEMBL7556579 0.85 EPHX1 (0.71) EPHX1POLBCTSBCHRM1UBE2N
SCHEMBL1516139 0.84 EPHX1 (1.00) EPHX1POLBCHRM1ACP3UBE2N
SCHEMBL30831649 0.83 EPHX1 (0.73) EPHX1CHRM1UBE2NNPSR1
SCHEMBL11021257 0.83 EPHX1 (0.77) EPHX1CHRM1UBE2NMEN1KMT2A
SCHEMBL28107950 0.83 EPHX1 (0.77) EPHX1POLBCHRM1UBE2NL3MBTL1
SCHEMBL15554057 0.83 EPHX1 (0.48) EPHX1POLBCTSBCTSLCTSS
SCHEMBL15554362 0.83 EPHX1 (0.48) EPHX1POLBCTSBCTSLCTSS

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-113214104-B Method for synthesizing aromatic acetamide 浙江工业大学 2022-05-24 CN disclosed