SCHEMBL11115856

SCHEMBL11115856

Cc1cn(C2O[C@H](C(O)CCCCC(=O)O)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TK2 O00142 2/20 0.46
TYMP P19971 1/20 0.45
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ALB P02768 1/20 0.42
POLB P06746 1/20 0.42
ADRA1A P35348 1/20 0.42
BLM P54132 1/20 0.42
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.40
PMP22 Q01453 1/20 0.40
HBB P68871 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8422445 0.82 LMNA (0.52) TK2TYMPLMNAALDH1A1ALB
SCHEMBL8422441 0.82 LMNA (0.52) TK2TYMPLMNAALDH1A1ALB
Phosphoramidic Acid SCHEMBL109883 0.80 TYMP (0.40) TK2TYMPLMNAALDH1A1ALB
SCHEMBL11022486 0.78 TK2 (0.51) TK2TYMPLMNAALDH1A1ALB
SCHEMBL11027508 0.78 LMNA (0.46) TK2TYMPLMNAALDH1A1ALB
SCHEMBL15164434 0.78 LMNA (0.50) TK2LMNAALDH1A1ALBPOLB
SCHEMBL20846987 0.77 LMNA (0.45) TK2TYMPLMNAALDH1A1ALB
SCHEMBL10662350 0.77 SMN1; SMN2 (0.58) TK2LMNATSHRMAPTPMP22
Phosphoramidic Acid SCHEMBL110890 0.77 TYMP (0.41) TK2TYMPLMNAALDH1A1ALB
SCHEMBL11022514 0.75 LMNA (0.44) TK2TYMPLMNAALDH1A1ALB

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-0103783-A2 Dermatological preparation Dr. Thilo & Co. GmbH (DE) 1984-03-28 EP disclosed