SCHEMBL29144752

SCHEMBL29144752

O=CC(Cc1ccccc1)Sc1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
KMO O15229 1/20 0.35
BACE1 P56817 1/20 0.35
CYP1A2 P05177 1/20 0.34
CPA1 P15085 2/20 0.34
CPB1 P15086 1/20 0.34
CPA3 P15088 1/20 0.34
CPB2 Q96IY4 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
MME P08473 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
SCHEMBL1894871 0.78 EPHX1 (0.44) EPHX1MEN1KMT2ATAAR1CYP1A2
SCHEMBL1894105 0.77 CYP2C9 (0.42) EPHX1MEN1KMT2ATAAR1HSD17B10
SCHEMBL29144729 0.77 KMT2A (0.39) EPHX1MEN1KMT2ATAAR1GAA
SCHEMBL29144749 0.74 PNMT (0.38) EPHX1MEN1KMT2ATAAR1RAB9A
SCHEMBL30780888 0.74 PNMT (0.38) EPHX1MEN1KMT2ATAAR1RAB9A
SCHEMBL15142069 0.72 TAAR1 (0.41) EPHX1MEN1KMT2ATAAR1RAB9A
SCHEMBL10869861 0.72 TAAR1 (0.47) EPHX1MEN1KMT2ATAAR1RAB9A
SCHEMBL15141781 0.71 PPARG (0.41) EPHX1MEN1KMT2ATAAR1GAA
SCHEMBL1889811 0.71 MAPT (0.41) EPHX1MEN1KMT2ATAAR1LMNA
SCHEMBL15142385 0.71 MME (0.43) EPHX1MEN1KMT2ATAAR1RAB9A

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-117466790-B Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-05-28 CN disclosed
CN-117466790-A Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-01-30 CN disclosed