SCHEMBL29700321

SCHEMBL29700321

Cc1ccc(S[C@H](C)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
TSHR P16473 3/20 0.50
MAPK1 P28482 1/20 0.50
DAO P14920 1/20 0.45
KMT2A Q03164 4/20 0.44
LMNA P02545 4/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
HKDC1 Q2TB90 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX12 P18054 1/20 0.40
ACHE P22303 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.38

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
SCHEMBL1709986 1.00 L3MBTL1 (0.50) L3MBTL1SMN1; SMN2TSHRMAPK1DAO
SCHEMBL11370239 0.87 L3MBTL1 (0.50) L3MBTL1SMN1; SMN2DAOKMT2ALMNA
SCHEMBL27739051 0.86 L3MBTL1 (0.43) L3MBTL1SMN1; SMN2TSHRMAPK1DAO
SCHEMBL10234307 0.83 SLC6A4 (0.47) L3MBTL1SMN1; SMN2TSHRMAPK1DAO
SCHEMBL10234305 0.82 DAO (0.51) L3MBTL1SMN1; SMN2DAOKMT2ALMNA
SCHEMBL27862715 0.79 ALDH1A1 (0.50) L3MBTL1SMN1; SMN2DAOKMT2ALMNA
SCHEMBL13146781 0.79 DAO (0.42) L3MBTL1TSHRDAOKMT2ALMNA
SCHEMBL754525 0.78 L3MBTL1 (0.40) L3MBTL1SMN1; SMN2TSHRMAPK1KMT2A
SCHEMBL11205708 0.77 DAO (0.48) L3MBTL1SMN1; SMN2MAPK1DAOLMNA
SCHEMBL11205710 0.77 ALDH1A1 (0.47) L3MBTL1SMN1; SMN2TSHRMAPK1DAO

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-112174862-B Synthesis method of benzyl sulfide 成都理工大学 2022-07-12 CN disclosed