SCHEMBL28931387

SCHEMBL28931387

CS(=O)(=O)OCCC1C=CC=CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL19882741 0.77 CA12 (0.37) ALDH1A1TSHR
SCHEMBL11960340 0.76 SIGMAR1 (0.31) —
SCHEMBL461954 0.75 USP2 (0.42) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL14601127 0.72 SIGMAR1 (0.31) —
SCHEMBL459235 0.72 USP2 (0.44) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL9286912 0.71 — —
SCHEMBL2173048 0.68 SIGMAR1 (0.31) —
SCHEMBL2663995 0.68 KDM4E (0.36) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL18951468 0.67 SIGMAR1 (0.35) —
SCHEMBL24157623 0.67 — —

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
CN-113880737-A Application of novel persulfur reagent in synthesis of asymmetric persulfur 安徽农业大学 2022-01-04 — — CN disclosed
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