SCHEMBL11516006

SCHEMBL11516006

CCOC(=O)C(C)Oc1ccc([S+]([O-])c2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.56
KMT2A Q03164 1/20 0.51
LMNA P02545 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPARA Q07869 2/20 0.43
ABCB11 O95342 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
HTR2A P28223 1/20 0.43
PMP22 Q01453 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
GAA P10253 1/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.39
PPARG P37231 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL10022852 0.89 EPHX2 (0.66) EPHX2KMT2ALMNAL3MBTL1CYP1A2
SCHEMBL5204883 0.89 EPHX2 (0.66) EPHX2KMT2ALMNAL3MBTL1CYP1A2
SCHEMBL10964710 0.84 EPHX2 (0.62) EPHX2KMT2ALMNAL3MBTL1CYP1A2
SCHEMBL11643884 0.84 PPARA (0.41) EPHX2LMNACYP1A2PPARAABCB11
SCHEMBL11514666 0.83 IDH1 (0.51) EPHX2KMT2ALMNAL3MBTL1PPARA
SCHEMBL11513899 0.83 MAPT (0.50) KMT2ALMNAL3MBTL1HTR2AGAA
SCHEMBL11626154 0.82 EPHX2 (0.66) EPHX2KMT2ALMNAL3MBTL1CYP1A2
SCHEMBL10703205 0.82 EPHX2 (0.59) EPHX2KMT2ALMNAL3MBTL1CYP1A2
SCHEMBL11512491 0.81 EPHX2 (0.58) EPHX2KMT2ALMNAL3MBTL1CYP1A2
SCHEMBL23605759 0.78 L3MBTL1 (0.76) EPHX2KMT2ALMNAL3MBTL1

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-4178169-A Diphenyl sulfide, sulfoxide and sulfone plant growth regulators ROHM AND HAAS COMPANY (US) 1979-12-11 US disclosed