SCHEMBL3044296

SCHEMBL3044296

O=C(O)c1n[nH]cc1CO

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.37
KDM4E B2RXH2 3/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 3/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
CYP1A2 P05177 1/20 0.32
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL591059 0.83 HCAR2 (0.44) HCAR2KDM4ECYP2C19HSD17B10ALDH1A1
SCHEMBL4446514 0.82 HCAR2 (0.33) HCAR2KDM4ECYP2C19HSD17B10LMNA
SCHEMBL9956509 0.82 HCAR2 (0.33) HCAR2KDM4ECYP2C19HSD17B10LMNA
SCHEMBL1018503 0.82 KDM4E (0.46) HCAR2KDM4ECYP2C19HSD17B10LMNA
SCHEMBL27432771 0.79 HCAR2 (0.33) HCAR2KDM4ECYP2C19HSD17B10LMNA
SCHEMBL948133 0.79 HCAR2 (0.42) HCAR2KDM4E
SCHEMBL27320966 0.79 HCAR2 (0.32) HCAR2KDM4ECYP2C19HSD17B10LMNA
SCHEMBL948061 0.77 HCAR2 (0.36) HCAR2LMNAPTGDR2ALDH1A1
SCHEMBL4878445 0.76 HCAR2 (0.47) HCAR2KDM4ELMNAMAPTCYP1A2
SCHEMBL947154 0.76 HCAR2 (0.45) HCAR2KDM4ELMNASMN1; SMN2

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
EP-2243777-A1 Method for manufacturing Pyridyl-substituted pyrazoles Bayer CropScience AG (DE) 2010-10-27 EP disclosed
CN-101087763-A Therapeutic agents ASTRAZENECA AB (SE) 2007-12-12 CN disclosed
US-5866583-A Substituted 2,4-diaminopyrimidines HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed