SCHEMBL11409554

SCHEMBL11409554

CCCCCCCCCCCCCCCc1cc(C(=O)OCC)n[nH]1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.69
HCAR3 P49019 2/20 0.67
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.43
PLA2G4A P47712 1/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
RIPK1 Q13546 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NOD2 Q9HC29 1/20 0.41
GPR84 Q9NQS5 1/20 0.41

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
SCHEMBL11365652 1.00 HCAR2 (0.69) HCAR2HCAR3KMT2ANPSR1L3MBTL1
SCHEMBL11400467 1.00 HCAR2 (0.69) HCAR2HCAR3KMT2ANPSR1L3MBTL1
SCHEMBL11241327 1.00 HCAR2 (0.69) HCAR2HCAR3KMT2ANPSR1L3MBTL1
SCHEMBL11231576 1.00 HCAR2 (0.69) HCAR2HCAR3KMT2ANPSR1L3MBTL1
SCHEMBL11220652 1.00 HCAR2 (0.69) HCAR2HCAR3KMT2ANPSR1L3MBTL1
SCHEMBL9367631 0.99 HCAR2 (0.68) HCAR2HCAR3KMT2ANPSR1L3MBTL1
SCHEMBL6366232 0.94 HCAR2 (0.68) HCAR2HCAR3KMT2ANPSR1L3MBTL1
SCHEMBL1259028 0.88 HCAR2 (0.66) HCAR2HCAR3KMT2ANPSR1L3MBTL1
SCHEMBL5724811 0.87 HCAR2 (0.54) HCAR2HCAR3KMT2ANPSR1L3MBTL1
SCHEMBL1149593 0.83 HCAR2 (0.50) HCAR2HCAR3KMT2ANPSR1L3MBTL1

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-0029363-A1 Pyrazole derivatives, process for their preparation and pharmaceutical compositions containing them MORISHITA PHARMACEUTICAL CO. LTD. (JP) 1981-05-27 EP disclosed