SCHEMBL9568612

SCHEMBL9568612

C=CC(=O)Oc1cccc(S(=O)(=O)NC(C)CC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
POLB P06746 1/20 0.42
MEP1B Q16820 1/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.39
CNR1 P21554 1/20 0.39
HTT P42858 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 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
SCHEMBL9568752 0.87 HTR2B (0.44) MEP1BLMNAALDH1A1NPSR1
SCHEMBL9568639 0.85 SMN1; SMN2 (0.53) SMN1; SMN2POLBLMNATP53ALDH1A1
SCHEMBL3251701 0.84 SMN1; SMN2 (0.41) SMN1; SMN2POLBMEP1BLMNATP53
SCHEMBL9568500 0.82 MEP1B (0.49) POLBMEP1BLMNAALDH1A1MAPT
SCHEMBL9568620 0.81 MEP1B (0.46) POLBMEP1BLMNAALDH1A1MAPT
SCHEMBL9568654 0.80 L3MBTL1 (0.47) SMN1; SMN2POLBMEP1BLMNAALDH1A1
SCHEMBL27403596 0.78 MEP1B (0.41) MEP1BCA1CA2
SCHEMBL9568603 0.78 CA1 (0.52) SMN1; SMN2LMNAALDH1A1CYP3A4CYP2C9
SCHEMBL9568524 0.78 ALDH1A1 (0.52) MEP1BLMNAALDH1A1HTTCA12
SCHEMBL397556 0.77 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1CYP2C9CYP2C19MAPT

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