SCHEMBL7420736

SCHEMBL7420736

COC(=O)[C@@H](NC(=O)OCC(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
CA12 O43570 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.39
BIRC2 Q13490 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
SCHEMBL19334673 1.00 SMN1; SMN2 (0.47) SMN1; SMN2CA12CA14CA7CA9
SCHEMBL15148112 1.00 SMN1; SMN2 (0.47) SMN1; SMN2CA12CA14CA7CA9
SCHEMBL6899801 0.85 SMN1; SMN2 (0.49) SMN1; SMN2MAPTHSD17B10TSHRGAA
SCHEMBL18526736 0.85 SMN1; SMN2 (0.40) SMN1; SMN2CA12CA14CA7CA9
SCHEMBL5551988 0.85 SMN1; SMN2 (0.47) SMN1; SMN2MAPTHSD17B10TSHRALDH1A1
SCHEMBL5551991 0.85 SMN1; SMN2 (0.47) SMN1; SMN2MAPTHSD17B10TSHRALDH1A1
SCHEMBL27668713 0.83 SMN1; SMN2 (0.46) SMN1; SMN2MAPTHSD17B10TSHRCYP2C9
SCHEMBL27668711 0.83 SMN1; SMN2 (0.46) SMN1; SMN2MAPTHSD17B10TSHRCYP2C9
SCHEMBL16587941 0.82 CA12 (0.47) SMN1; SMN2CA12CA14CA7CA9
SCHEMBL18686187 0.82 CA12 (0.47) SMN1; SMN2CA12CA14CA7CA9

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-0773926-A1 DIFLUOROSTATONE ANTIVIRAL AGENTS MERRELL PHARMACEUTICALS INC. (US) 1997-05-21 EP disclosed
WO-1996002499-A1 DIFLUOROSTATONE ANTIVIRAL AGENTS MERRELL PHARMACEUTICALS INC. (US) 1996-02-01 WO disclosed