SCHEMBL15948684

SCHEMBL15948684

CC[C@@H](O[C@@H](C)CO)n1cc(C)c(=O)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.42
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
ALB P02768 1/20 0.39
POLB P06746 1/20 0.39
ADRA1A P35348 1/20 0.39
BLM P54132 1/20 0.39
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.37
TK1 P04183 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP2C19 P33261 1/20 0.34

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
SCHEMBL17772358 0.88 TYMP (0.41) TYMPALDH1A1LMNAALBPOLB
SCHEMBL14217432 0.85 CYP1A2 (0.39) TYMPALDH1A1BLMTK1SMN1; SMN2
SCHEMBL12463863 0.85 CYP1A2 (0.39) TYMPALDH1A1BLMTK1SMN1; SMN2
SCHEMBL6998418 0.80 MAPK1 (0.43) TYMPALDH1A1LMNAALBPOLB
SCHEMBL10474572 0.80 TYMP (0.42) TYMPALDH1A1LMNAALBPOLB
SCHEMBL24264290 0.79 TYMP (0.50) TYMPALDH1A1LMNAALBPOLB
SCHEMBL17787457 0.78 TYMP (0.43) TYMPALDH1A1LMNAALBPOLB
SCHEMBL26781724 0.78 TYMP (0.47) TYMPALDH1A1LMNAALBPOLB
SCHEMBL24420167 0.78 TYMP (0.47) TYMPALDH1A1LMNAALBPOLB
SCHEMBL25764429 0.78 TYMP (0.47) TYMPALDH1A1LMNAALBPOLB

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
WO-2014124430-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2014-08-14 WO disclosed