SCHEMBL6889538

SCHEMBL6889538

CC(=O)C1(C)CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TK2 O00142 1/20 0.41
ALOX12 P18054 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRB1 P08588 1/20 0.39
DNMT1 P26358 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL27945886 0.85 LMNA (0.40) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL292198 0.85 LMNA (0.45) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL15893327 0.84 TK1 (0.44) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL16099482 0.84 TK1 (0.44) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL1583331 0.84 TK1 (0.44) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL6025793 0.83 TK1 (0.43) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL18039264 0.83 TK1 (0.43) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL6025787 0.83 TK1 (0.43) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL12482651 0.82 TK1 (0.45) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL4745548 0.82 TK1 (0.43) TK1LMNASMN1; SMN2TK2ALOX12

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-1425417-A2 INTERACTION DETECTION ON SEVERAL PROBE ARRAYS Clondiag Chip Technologies GmbH (DE) 2004-06-09 EP disclosed
WO-2003018838-A2 INTERACTION DETECTION ON SEVERAL PROBE ARRAYS CLONDIAG CHIP TECHNOLOGIES GMBH (DE) 2003-03-06 WO disclosed