SCHEMBL8443298

SCHEMBL8443298

O=C(O)C(CSCCNS(=O)(=O)c1ccc(Cl)cc1)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.48
PPARG P37231 11/20 0.48
ALDH1A1 P00352 3/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SGMS1 Q86VZ5 2/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL8441478 0.83 ALDH1A1 (0.48) ALDH1A1TP53GAAKDM4ESGMS1
SCHEMBL9773559 0.77 ALDH1A1 (0.52) ALDH1A1TP53GAAKDM4ETSHR
SCHEMBL8559241 0.76 ALDH1A1 (0.50) PPARAPPARGALDH1A1KDM4ELMNA
SCHEMBL8443300 0.76 SGMS1 (0.53) ALDH1A1TP53GAAKDM4ETSHR
SCHEMBL8441480 0.74 SGMS1 (0.56) ALDH1A1TP53GAAKDM4ESGMS1
SCHEMBL8442525 0.73 TBXA2R (0.52) ALDH1A1KDM4ETSHRTDP1LMNA
SCHEMBL8441161 0.73 TBXA2R (0.52) ALDH1A1TP53GAAKDM4ELMNA
SCHEMBL7911840 0.72 ALDH1A1 (0.62) ALDH1A1GAAKDM4ETSHRLMNA
SCHEMBL8440583 0.71 ALDH1A1 (0.56) ALDH1A1GAATSHRSGMS1LMNA
SCHEMBL8442976 0.71 ALDH1A1 (0.48) ALDH1A1GAATSHRTDP1SGMS1

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-5955505-A TREATING NERVE DEGENERATIVE DISORDERS NIPPON SUISAN KAISHA, LTD. (JP) 1999-09-21 US disclosed