SCHEMBL9568797

SCHEMBL9568797

C=CC(=O)Oc1ccc(S(=O)(=O)NCCC)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
THRB P10828 2/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
TP53 P04637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 2/20 0.46
ADAMTS4 O75173 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP13 P45452 1/20 0.45
MMP14 P50281 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
LMNA P02545 3/20 0.44

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
SCHEMBL9568766 0.92 THRB (0.55) ALDH1A1CYP2C9CYP2C19THRBPKM
SCHEMBL9568830 0.88 THRB (0.56) ALDH1A1CYP2C9CYP2C19THRBPKM
SCHEMBL3242479 0.82 ALDH1A1 (0.58) ALDH1A1CYP2C9CYP2C19CA12CA1
SCHEMBL9568615 0.82 ALDH1A1 (0.52) ALDH1A1THRBCA12CA1CA2
SCHEMBL9568741 0.80 SMN1; SMN2 (0.58) ALDH1A1THRBCA12CA1CA2
SCHEMBL9568639 0.78 SMN1; SMN2 (0.53) ALDH1A1CYP2C9CYP2C19THRBCA12
SCHEMBL27403594 0.78 THRB (0.46) THRBCA1CA2PKMSMN1; SMN2
SCHEMBL1688071 0.77 TGM2 (0.61) ALDH1A1CYP2C9CYP2C19THRBCA12
SCHEMBL9568753 0.77 CA12 (0.53) ALDH1A1CYP2C9CYP2C19THRBCA12
SCHEMBL5770948 0.77 ALDH1A1 (0.77) ALDH1A1CYP2C9CYP2C19CA12CA1

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-0544264-A1 Light-sensitive composition FUJI PHOTO FILM CO., LTD. (JP) 1993-06-02 EP disclosed