SCHEMBL23966869

SCHEMBL23966869

Cc1ccc(S(=O)O[C@@H](C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
XBP1 P17861 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ACHE P22303 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPK14 Q16539 1/20 0.30
PPARG P37231 1/20 0.30

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
SCHEMBL15371814 0.83 RECQL (0.44) RECQLTDP1ADRB2ADRB1ADRB3
SCHEMBL19825352 0.83 RECQL (0.44) RECQLTDP1ADRB2ADRB1ADRB3
SCHEMBL19825375 0.79 RECQL (0.43) RECQLTDP1ADRB2ADRB1ADRB3
SCHEMBL17023988 0.73 CYP3A4 (0.42) RECQLTDP1KMT2ALMNACYP1A2
SCHEMBL21769359 0.72 RECQL (0.43) RECQLTDP1KMT2ACYP1A2CYP2C19
SCHEMBL7172501 0.70 RECQL (0.44) RECQLTDP1ADRB2ADRB1ADRB3
SCHEMBL5215244 0.70 APP (0.49) TDP1XBP1ADRB2ADRB1ADRB3
SCHEMBL7366077 0.70 KMT2A (0.41) TDP1XBP1KMT2ALMNACYP2C19
SCHEMBL7412821 0.70 KMT2A (0.41) TDP1XBP1KMT2ALMNACYP2C19
SCHEMBL3152114 0.70 ALDH1A1 (0.39) RECQLTDP1CYP1A2CYP2C19ALDH1A1

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed