SCHEMBL4639751

SCHEMBL4639751

CC(C)(C[O])C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EPHX1 P07099 2/20 0.33
CYP1A2 P05177 1/20 0.33
SSTR4 P31391 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8206363 0.81 MEN1 (0.38) SMN1; SMN2MEN1ALDH1A1LMNAALOX12
SCHEMBL2994447 0.80 MEN1 (0.40) SMN1; SMN2MEN1ALDH1A1LMNAALOX12
SCHEMBL18736579 0.78 MEN1 (0.35) SMN1; SMN2MEN1ALDH1A1LMNAALOX12
SCHEMBL9555928 0.78 MEN1 (0.43) SMN1; SMN2MEN1ALDH1A1LMNAALOX12
SCHEMBL20841523 0.78 MEN1 (0.43) SMN1; SMN2MEN1ALDH1A1LMNAALOX12
SCHEMBL1396813 0.78 ALDH1A1 (0.39) SMN1; SMN2MEN1ALDH1A1LMNAALOX12
SCHEMBL18556456 0.76 MEN1 (0.38) SMN1; SMN2MEN1ALDH1A1LMNAALOX12
SCHEMBL7483412 0.76 MEN1 (0.38) SMN1; SMN2MEN1ALDH1A1LMNAALOX12
SCHEMBL20878813 0.76 MEN1 (0.38) SMN1; SMN2MEN1ALDH1A1LMNAALOX12
SCHEMBL4681944 0.76 SMN1; SMN2 (0.42) SMN1; SMN2MEN1ALDH1A1LMNAALOX12

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-1954684-A2 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION Otsuka Pharmaceutical Co., Ltd. (JP) 2008-08-13 EP disclosed
WO-2007058338-A9 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMA CO LTD (JP) 2007-11-01 WO disclosed
WO-2007058338-A2 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-05-24 WO disclosed