SCHEMBL9740475

SCHEMBL9740475

COc1c[c]ccc1OS(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.35
PDE4B Q07343 1/20 0.35
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
NFE2L2 Q16236 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CA5A P35218 1/20 0.30
HTR6 P50406 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
SCHEMBL15067272 0.81 KDM4E (0.37) PDE4BTSHRKDM4EKMT2ACA1
SCHEMBL8674 0.80 CA2 (0.46) PDE4BPOLBTSHRMAPK1KDM4E
SCHEMBL15066779 0.79 KDM4E (0.36) PDE4BTSHRKDM4EKMT2ACA1
SCHEMBL12485371 0.78 MEN1 (0.31) MAPK1KMT2A
SCHEMBL15066549 0.78 KDM4E (0.32) NFE2L2KDM4EKMT2A
SCHEMBL15067412 0.78 KDM4E (0.32) KDM4EKMT2A
SCHEMBL15067290 0.78 KDM4E (0.32) KDM4EKMT2A
SCHEMBL15067717 0.78 KDM4E (0.32) NFE2L2KDM4EKMT2A
SCHEMBL27494520 0.78 CA2 (0.43) POLBTSHRMAPK1KDM4ECA1
SCHEMBL28251730 0.78 CA2 (0.43) POLBTSHRMAPK1KDM4ECA1

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
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed