SCHEMBL9565273

SCHEMBL9565273

CCOc1nccc(OC(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.47
MAPT P10636 1/20 0.39
ACACB O00763 1/20 0.38
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL686891 0.84 MAPT (0.33) MAPK8MAPTEDNRBEDNRAKMT2A
SCHEMBL3817284 0.80 MAPK8 (0.41) MAPK8MAPTACACBKMT2AALDH1A1
SCHEMBL686300 0.78 KMT2A (0.32) MAPTKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL18952326 0.77 MAPK8 (0.57) MAPK8MAPTEDNRBEDNRAGLA
SCHEMBL2012249 0.76 MAPK8 (0.52) MAPK8MAPTACACBKMT2AL3MBTL1
SCHEMBL8393570 0.75 SORT1 (0.37) KMT2AL3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL1505810 0.74 LMNA (0.37) MAPTKMT2AALDH1A1LMNAKDM4E
SCHEMBL7241544 0.74 MAPK8 (0.39) MAPK8MAPTACACBALDH1A1
SCHEMBL1436442 0.74 MAPK8 (0.38) MAPK8ACACBKMT2ALMNACYP1A2
SCHEMBL9565270 0.73 PLAAT3 (0.37) NPSR1L3MBTL1ALDH1A1LMNAKDM4E

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
EP-0552760-A1 Microbiological process for the preparation of 2-halopyrimidine-4-carboxylic acids LONZA AG (CH) 1993-07-28 EP disclosed