SCHEMBL8716673

SCHEMBL8716673

CCOP(=O)(COC(OC)n1cc(C)c(=O)[nH]c1=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.42
TK1 P04183 3/20 0.36
MAPK1 P28482 1/20 0.35
HPGD P15428 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
ALB P02768 1/20 0.33
POLB P06746 1/20 0.33
ADRA1A P35348 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8898029 0.82 TYMP (0.43) TYMPTK1MAPK1HPGDALDH1A1
SCHEMBL8898025 0.82 TYMP (0.58) TYMPTK1MAPK1HPGD
SCHEMBL20012561 0.74 TYMP (0.73) TYMPTK1MAPK1HPGDALDH1A1
SCHEMBL8716675 0.73 TYMP (0.42) TYMPTK1MAPK1HPGD
SCHEMBL6998418 0.70 MAPK1 (0.43) TYMPTK1MAPK1HPGDALDH1A1
SCHEMBL8711439 0.70 TYMP (0.48) TYMPTK1MAPK1HPGDALDH1A1
SCHEMBL8896627 0.70 FGFR1 (0.39)
SCHEMBL16038197 0.68 TYMP (0.60) TYMPTK1MAPK1HPGD
SCHEMBL6153438 0.68 MAPK1 (0.42) TYMPTK1MAPK1HPGDALDH1A1
SCHEMBL22398916 0.66 MAPK1 (0.44) TYMPTK1MAPK1HPGDALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5837871-A PHOSPHONATE DERIVATIVES; ANTITUMOR AGENTS, VIRICIDES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1998-11-17 US disclosed
EP-0398231-B1 Nucleoside analogs ACAD OF SCIENCE CZECH REPUBLIC (CZ) 1997-07-16 EP disclosed
EP-0398231-A2 Nucleoside analogs INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CS) 1990-11-22 EP disclosed