SCHEMBL7511909

SCHEMBL7511909

CCOC(=O)C(=O)c1c(NC(=O)C(C)(C)C)cccc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
KDM4E B2RXH2 3/20 0.48
LMNA P02545 2/20 0.48
ALOX12 P18054 1/20 0.48
TSHR P16473 1/20 0.47
NPC1 O15118 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 1/20 0.46
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
GPR35 Q9HC97 1/20 0.43
CETP P11597 1/20 0.43
MAPT P10636 6/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
KMT2A Q03164 2/20 0.41

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
SCHEMBL281488 0.85 TSHR (0.48) GAAKDM4ELMNATSHRNPC1
SCHEMBL1736009 0.81 MAPT (0.54) GAALMNATSHRNPC1NPSR1
SCHEMBL8806924 0.80 CA12 (0.59) GAAKDM4ELMNAALOX12NPC1
SCHEMBL9872617 0.80 KDM4E (0.56) GAAKDM4ELMNAALOX12SMN1; SMN2
SCHEMBL4722310 0.79 LMNA (0.55) GAAKDM4ELMNAALOX12SMN1; SMN2
SCHEMBL18021884 0.77 LMNA (0.58) GAAKDM4ELMNAALOX12NPSR1
SCHEMBL1030263 0.76 LMNA (0.74) GAAKDM4ELMNAALOX12NPC1
SCHEMBL999403 0.76 LMNA (0.55) GAAKDM4ELMNAALOX12SMN1; SMN2
SCHEMBL18473381 0.75 GAA (0.47) GAAKDM4ELMNAALOX12TSHR
SCHEMBL11537261 0.75 GPR35 (0.59) GAAKDM4ETSHRNPC1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0731091-B1 2-OXOINDOLINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS TANABE SEIYAKU CO (JP) 2002-01-02 EP disclosed
US-5807883-A GASTROINTESTINAL DISORDERS; PANCREATITIS TANABE SEIYAKU CO., LTD. (JP) 1998-09-15 US disclosed
EP-0731091-A1 2-OXOINDOLINE DERIVATIVE TANABE SEIYAKU CO., LTD. (JP) 1996-09-11 EP disclosed