SCHEMBL7609942

SCHEMBL7609942

COC(=O)Nc1ccc(CC(OS(C)(=O)=O)c2ccc(NC(=O)OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.44
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
GFER P55789 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
PTPRB P23467 1/20 0.40
UTS2R Q9UKP6 1/20 0.40
HTT P42858 1/20 0.39
CRHBP P24387 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
SCHEMBL7609937 0.76 SMN1; SMN2 (0.47) SMN1; SMN2MAPTKDM4EALDH1A1KMT2A
SCHEMBL25223968 0.75 SMN1; SMN2 (0.47) SMN1; SMN2MAPTKDM4EALDH1A1KMT2A
SCHEMBL10161781 0.75 SMN1; SMN2 (0.56) SMN1; SMN2MAPTALDH1A1GAANPC1
SCHEMBL8000580 0.71 SMN1; SMN2 (0.49) SMN1; SMN2MAPTKDM4EALDH1A1KMT2A
SCHEMBL27552518 0.71 SIGMAR1 (0.40) ALDH1A1KMT2ACYP1A2
SCHEMBL28476992 0.71 SMN1; SMN2 (0.51) SMN1; SMN2MAPTKDM4EALDH1A1KMT2A
SCHEMBL3901283 0.71 SMN1; SMN2 (0.51) SMN1; SMN2MAPTKDM4EALDH1A1KMT2A
SCHEMBL8366738 0.71 SMN1; SMN2 (0.51) SMN1; SMN2MAPTKDM4EALDH1A1KMT2A
SCHEMBL8741875 0.71 SMN1; SMN2 (0.51) SMN1; SMN2MAPTKDM4EALDH1A1KMT2A
SCHEMBL1022686 0.70 SMN1; SMN2 (0.64) SMN1; SMN2MAPTKDM4EALDH1A1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230210-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-14 EP disclosed
WO-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 WO disclosed