SCHEMBL28016980

SCHEMBL28016980

CC(=O)C[C@]1(n2cc(C)c(=O)[nH]c2=O)CC[C@@H](CO)O1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
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
TK1 P04183 5/20 0.38
TYMP P19971 1/20 0.35

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
SCHEMBL27583424 0.88 ALDH1A1 (0.41) ALDH1A1NPSR1LMNAALBPOLB
SCHEMBL2012504 0.80 ALDH1A1 (0.43) ALDH1A1NPSR1LMNAALBPOLB
SCHEMBL28765909 0.80 LMNA (0.42) ALDH1A1NPSR1LMNAALBPOLB
SCHEMBL4194798 0.79 ALDH1A1 (0.40) ALDH1A1NPSR1LMNAALBPOLB
SCHEMBL3611848 0.79 LMNA (0.41) ALDH1A1NPSR1LMNAALBPOLB
SCHEMBL1878105 0.79 ALDH1A1 (0.43) ALDH1A1NPSR1LMNAALBPOLB
SCHEMBL339966 0.79 ALDH1A1 (0.41) ALDH1A1NPSR1LMNAALBPOLB
SCHEMBL30841853 0.79 ALDH1A1 (0.41) ALDH1A1NPSR1LMNAALBPOLB
SCHEMBL2633815 0.78 LMNA (0.41) ALDH1A1NPSR1LMNAALBPOLB
SCHEMBL3987377 0.74 NT5M (0.39) ALDH1A1NPSR1LMNAALBPOLB

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
CN-104592333-A Novel method for synthesizing 5-carboxyl-2'-deoxycytidine UNIV JIANGXI NORMAL SCI & TECH 2015-05-06 CN disclosed