SCHEMBL18929906

SCHEMBL18929906

COC1=CC(S(C)(=O)=O)[C@H](C)C=C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MRGPRX2 Q96LB1 1/20 0.33
PRKD1 Q15139 1/20 0.31

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
SCHEMBL11928883 0.75 MRGPRX2 (0.40) MRGPRX2PRKD1
SCHEMBL25015134 0.75 MRGPRX2 (0.40) MRGPRX2PRKD1
SCHEMBL19141400 0.66 MRGPRX2 (0.37) MRGPRX2
SCHEMBL16062695 0.64 MRGPRX2 (0.37) MRGPRX2
SCHEMBL24302273 0.64 ALDH1A1 (0.40)
SCHEMBL23640440 0.64 ALDH1A1 (0.40)
SCHEMBL19075227 0.63 MRGPRX2 (0.30) MRGPRX2
SCHEMBL12562544 0.63 MRGPRX2 (0.35) MRGPRX2
SCHEMBL18829387 0.62 GRM2 (0.33)
SCHEMBL25106966 0.59 KDM1A (0.43)

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-2922841-B1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2017-06-07 EP disclosed