SCHEMBL8662401

SCHEMBL8662401

CCOP(=O)(CO[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)C1)OCC

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.47
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ALB P02768 1/20 0.40
ADRA1A P35348 1/20 0.40
BLM P54132 1/20 0.40
TYMP P19971 2/20 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
SCHEMBL9148964 0.85 TK1 (0.50) TK1POLBTYMP
SCHEMBL8663377 0.85 TK1 (0.50) TK1POLBTYMP
SCHEMBL9150261 0.80 TK1 (0.45) TK1POLBALDH1A1LMNAALB
SCHEMBL19619044 0.79 TK1 (0.47) TK1TYMP
SCHEMBL17157431 0.79 TK1 (0.42) TK1POLBTYMP
SCHEMBL17157351 0.79 TK1 (0.42) TK1POLBALDH1A1LMNAALB
SCHEMBL9150434 0.77 TK1 (0.45) TK1POLBALDH1A1LMNAALB
SCHEMBL12154713 0.77 POLB (0.54) TK1POLBALDH1A1LMNAALB
SCHEMBL12154611 0.77 POLB (0.54) TK1POLBALDH1A1LMNAALB
SCHEMBL8714093 0.75 TK1 (0.56) TK1POLB

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
US-5744600-A VIRICIDES, ANTITUMOR AGENTS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1998-04-28 US disclosed