SCHEMBL31070409

SCHEMBL31070409

CS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1COC[C@H]1CCCO1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
OXTR P30559 1/20 0.39
SCN9A Q15858 1/20 0.38
TSHR P16473 3/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.37
APEX1 P27695 1/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ADRB2 P07550 1/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL25001232 1.00 KMT2A (0.41) KMT2AOXTRSCN9ATSHRHTT
SCHEMBL31070411 1.00 KMT2A (0.41) KMT2AOXTRSCN9ATSHRHTT
SCHEMBL29695380 1.00 KMT2A (0.41) KMT2AOXTRSCN9ATSHRHTT
SCHEMBL23234159 0.92 OXTR (0.39) KMT2AOXTRSCN9ATSHRTHRB
SCHEMBL29695278 0.92 OXTR (0.39) KMT2AOXTRSCN9ATSHRTHRB
SCHEMBL28559591 0.90 ALDH1A1 (0.43) KMT2AOXTRSCN9AHTTTHRB
SCHEMBL27912591 0.88 OXTR (0.37) KMT2AOXTRSCN9ATHRBKDM4E
SCHEMBL118936 0.86 OXTR (0.36) OXTRSCN9ATSHRHTTTHRB
SCHEMBL16021163 0.86 KDM4E (0.39) OXTRSCN9ATSHRHTTTHRB
SCHEMBL12770865 0.84 OXTR (0.34) OXTRSCN9ATHRBKDM4EADRB2

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-118619858-A Preparation method of 2-chloro-3-alkoxymethyl-4-methylsulfonyl benzoic acid 江西天宇化工有限公司 2024-09-10 CN disclosed