SCHEMBL20195659

SCHEMBL20195659

CCc1cccc(C(=O)O)c1COc1nc(C)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.40
MRGPRX4 Q96LA9 4/20 0.39
POLB P06746 2/20 0.39
PPARG P37231 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
MCL1 Q07820 1/20 0.37
BAK1 Q16611 1/20 0.37
SORT1 Q99523 1/20 0.37
CD38 P28907 1/20 0.37
MAPK8 P45983 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
APEX1 P27695 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL20195628 0.85 TP53 (0.44) MRGPRX4PPARGLMNAALDH1A1APEX1
SCHEMBL20195623 0.85 MCL1 (0.42) CLCN2MRGPRX4PPARGMCL1BAK1
SCHEMBL20195619 0.84 KMT2A (0.41) POLBPPARGALDH1A1APEX1KDM4E
SCHEMBL16385271 0.76 RXRA (0.52) CLCN2MRGPRX4PTGDR2ALDH1A1APEX1
SCHEMBL18831634 0.76 MRGPRX4 (0.53) CLCN2MRGPRX4APEX1
SCHEMBL16920923 0.75 MRGPRX4 (0.49) MRGPRX4ALDH1A1APEX1KDM4EHPGD
SCHEMBL20195479 0.75 KMT2A (0.38) POLBMCL1BAK1CD38ALDH1A1
SCHEMBL16920918 0.73 MRGPRX4 (0.56) MRGPRX4HSD17B10
SCHEMBL578127 0.72 CLCN2 (0.56) CLCN2MRGPRX4ALDH1A1KDM4EHPGD
SCHEMBL18831439 0.72 MRGPRX4 (0.47) MRGPRX4ALDH1A1APEX1

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-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed