SCHEMBL7745228

SCHEMBL7745228

Cc1cc(C(=O)O)ccc1C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
MYC P01106 2/20 0.42
ESR1 P03372 1/20 0.42
ALOX15 P16050 1/20 0.42
PTPN7 P35236 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
HTR7 P34969 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
SCHEMBL3867866 0.84 ALDH1A1 (0.45) GAAHSD17B10CA12CA1CA9
SCHEMBL6512762 0.81 ALDH1A1 (0.46) GAAHSD17B10CA12CA1CA9
SCHEMBL13404894 0.79 CA12 (0.42) GAAHSD17B10CA12CA1CA9
SCHEMBL27717830 0.79 CA1 (0.55) GAAALOX15CA12CA1CA9
SCHEMBL12756281 0.78 MAPK1 (0.35) GAAHSD17B10CA12CA1CA9
SCHEMBL8335906 0.78 ITGB1 (0.43) GAAESR1SMN1; SMN2KMT2AMEN1
SCHEMBL26730046 0.78 KMT2A (0.38) GAAALOX15HSD17B10POLBSMN1; SMN2
SCHEMBL26729992 0.76 LMNA (0.37) GAAESR1CA12CA1CA9
SCHEMBL28736317 0.76 CA1 (0.47) GAAHSD17B10CA12CA1CA9
SCHEMBL7129080 0.75 ESR1 (0.44) GAAESR1CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040116-A4 FUNCTIONALIZED PYRIMIDINE DERIVATIVES SCRIPPS RESEARCH INST (US) 2001-10-31 EP disclosed
US-6175001-B1 DERIVATIZED AT C5 TO CONTAIN FUNCTIONAL GROUP THAT MIMICS THE PROPERTY OF NATURALLY OCCURRING AMINO ACID; FOR USE IN POLYMERASE CHAIN REACTIONS THE SCRIPPS RESEARCH INSTITUTE 2001-01-16 US disclosed
EP-1040116-A1 FUNCTIONALIZED PYRIMIDINE DERIVATIVES The Scripps Research Institute (US) 2000-10-04 EP disclosed
WO-2000052192-A1 ENZYMATIC DNA MOLECULES THAT CONTAIN MODIFIED NUCLEOTIDES THE SCRIPPS RESEARCH INSTITUTE (US) 2000-09-08 WO disclosed
US-6110462-A NUCLEOTIDE CATALYSTS THE SCRIPPS RESEARCH INSTITUTE (US) 2000-08-29 US disclosed
WO-2000023456-A1 FUNCTIONALIZED PYRIMIDINE DERIVATIVES THE SCRIPPS RESEARCH INSTITUTE (US) 2000-04-27 WO disclosed