SCHEMBL8716675

SCHEMBL8716675

CCC(CC)(OC(OC)n1cc(C)c(=O)[nH]c1=O)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.42
TK1 P04183 3/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 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
SCHEMBL8898025 0.78 TYMP (0.58) TYMPTK1MAPK1HPGD
SCHEMBL8716673 0.73 TYMP (0.42) TYMPTK1MAPK1HPGD
SCHEMBL8898029 0.72 TYMP (0.43) TYMPTK1MAPK1HPGD
SCHEMBL6998418 0.70 MAPK1 (0.43) TYMPTK1MAPK1HPGD
SCHEMBL8711443 0.70 TYMP (0.51) TYMPTK1MAPK1HPGD
SCHEMBL8896625 0.70 FGFR1 (0.39)
SCHEMBL16038197 0.68 TYMP (0.60) TYMPTK1MAPK1HPGD
SCHEMBL4118906 0.68 TYMP (0.44) TYMPTK1
SCHEMBL6153438 0.68 MAPK1 (0.42) TYMPTK1MAPK1HPGD
SCHEMBL19662195 0.67 ALDH1A1 (0.42) TYMPTK1MAPK1HPGD

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