SCHEMBL950254

SCHEMBL950254

CC(C)c1c[nH]nc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.39
HCAR3 P49019 1/20 0.39
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
KDM4E B2RXH2 2/20 0.34
THRA P10827 3/20 0.33
EIF4A3 P38919 2/20 0.33
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 2/20 0.31
ACE2 Q9BYF1 1/20 0.31

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
SCHEMBL6922497 0.82 HCAR2 (0.32) HCAR2HCAR3
SCHEMBL20162355 0.82 HCAR2 (0.33) HCAR2HCAR3
SCHEMBL950978 0.81 NPSR1 (0.43) KDM4EHSD17B10LMNA
SCHEMBL601234 0.80 HCAR2 (0.33) HCAR2KDM4ELMNA
SCHEMBL27949469 0.73 KMT2A (0.39) HCAR2HCAR3KDM4EHSD17B10LMNA
SCHEMBL2802724 0.73 HCAR3 (0.38) HCAR2HCAR3KDM4E
SCHEMBL950861 0.72
SCHEMBL10240090 0.72 KDM4C (0.38) HCAR2HCAR3KDM4ELMNA
SCHEMBL948061 0.72 HCAR2 (0.36) HCAR2LMNA
SCHEMBL16209016 0.72 KDM4E (0.36) HCAR2KDM4ECYP2C19HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023111181-A1 SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2023-06-22 WO disclosed
EP-2451450-B1 Inhibitors of proline racemase enzymes for the treatment of Trypanosoma spp infections PASTEUR INSTITUT (FR) 2014-07-02 EP disclosed
EP-2451450-A1 NEW INHIBITORS OF PROLINE RACEMASE ENZYMES Institut Pasteur (FR) 2012-05-16 EP disclosed
WO-2011004323-A1 NEW INHIBITORS OF PROLINE RACEMASE ENZYMES INSTITUT PASTEUR (FR) 2011-01-13 WO disclosed
EP-2272510-A1 Inhibitors of the proline racemase of trypanosoma cruzi Institut Pasteur (FR) 2011-01-12 EP disclosed