SCHEMBL45083

SCHEMBL45083

CS(=O)(=O)SCOCc1ccccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
FOLH1 Q04609 3/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
CLCN2 P51788 2/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 4/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37
ALOX15 P16050 2/20 0.37

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
SCHEMBL29442430 0.81 HTT (0.49) TP53HTTFOLH1MRGPRX4CLCN2
SCHEMBL113974 0.81 HTT (0.49) TP53HTTFOLH1MRGPRX4CLCN2
SCHEMBL23453516 0.79 TP53 (0.59) TP53HTTFOLH1MRGPRX4CLCN2
SCHEMBL1982031 0.76 HTT (0.50) TP53HTTFOLH1MRGPRX4CLCN2
SCHEMBL12164265 0.76 KDM4E (0.55) TP53HTTFOLH1MRGPRX4CLCN2
SCHEMBL28857874 0.73 HTT (0.50) TP53HTTFOLH1MRGPRX4CLCN2
SCHEMBL6043415 0.73 TP53 (0.50) TP53HTTFOLH1MRGPRX4CLCN2
SCHEMBL7808887 0.73 TP53 (0.47) TP53HTTFOLH1MRGPRX4CLCN2
SCHEMBL3175790 0.73 HTT (0.53) TP53HTTFOLH1MRGPRX4CLCN2
SCHEMBL8791191 0.73 ALDH1A1 (0.56) TP53HTTFOLH1MRGPRX4TSHR

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
WO-2022178428-A9 TARGETED BIFUNCTIONAL DEGRADERS AND METHODS USING SAME YALE UNIVERSITY (US) 2023-08-17 WO disclosed
WO-2012002913-A1 PROCESS OF FORMING A CYCLIC IMIDE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-01-05 WO disclosed