SCHEMBL13630906

SCHEMBL13630906

COCCCCNC(=O)C(C)(O)COC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ALDH1A1 P00352 4/20 0.42
RECQL P46063 1/20 0.40
POLB P06746 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
EPHX2 P34913 4/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX1 P07099 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL13630894 0.95 TSHR (0.50) TSHRALDH1A1RECQLPOLBSMN1; SMN2
SCHEMBL18997736 0.82 TSHR (0.50) TSHRALDH1A1RECQLPOLBSMN1; SMN2
SCHEMBL13630898 0.81 TSHR (0.50) TSHRALDH1A1RECQLPOLBSMN1; SMN2
SCHEMBL10092236 0.76 TSHR (0.57) TSHRALDH1A1RECQLPOLBSMN1; SMN2
SCHEMBL26200750 0.73 TSHR (0.53) TSHRALDH1A1RECQLPOLBSMN1; SMN2
SCHEMBL19527207 0.72 TSHR (0.41) TSHRALDH1A1RECQLPOLBSMN1; SMN2
SCHEMBL27117845 0.72 TSHR (0.38) TSHRALDH1A1RECQLEPHX2MEN1
SCHEMBL13630895 0.71 TSHR (0.52) TSHRALDH1A1RECQLPOLBSMN1; SMN2
SCHEMBL19017148 0.71 TDP1 (0.66) TSHRALDH1A1GAAMEN1KMT2A
SCHEMBL4421305 0.71 TSHR (0.55) TSHRALDH1A1RECQLPOLBSMN1; SMN2

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-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed