SCHEMBL20077536

SCHEMBL20077536

CC(=O)CC1(O)CCS(=O)(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL20128071 0.82 CYP2C19 (0.38) POLBLMNATSHR
SCHEMBL23253661 0.81 POLB (0.34) POLBLMNA
SCHEMBL21432044 0.79 POLB (0.33) POLB
SCHEMBL20077525 0.75 LMNA (0.32) POLBLMNA
SCHEMBL21161442 0.73 POLB (0.33) POLBLMNAGAA
SCHEMBL9547482 0.73
SCHEMBL20476067 0.72 POLB (0.32) POLBLMNA
SCHEMBL13545394 0.72 CYP2C19 (0.47) LMNATSHR
Hydrochloric Acid SCHEMBL21080159 0.71 POLB (0.31) POLBLMNA
SCHEMBL17446962 0.69

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
WO-2018071620-A1 HETEROCYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-19 WO disclosed