SCHEMBL4551575

SCHEMBL4551575

Cc1cc(-c2cc[nH]n2)cc(C(=O)O)c1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.46
MCL1 Q07820 6/20 0.46
PTGER1 P34995 1/20 0.44
BAK1 Q16611 1/20 0.42
POLB P06746 1/20 0.40
PTPN1 P18031 1/20 0.39

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
SCHEMBL28011943 0.89 MEN1 (0.45)
SCHEMBL10698086 0.82 MCL1 (0.56) DHODHMCL1PTGER1BAK1PTPN1
SCHEMBL9191607 0.76 DHODH (0.49) DHODHMCL1PTGER1BAK1PTPN1
SCHEMBL27678664 0.76 PTGER1 (0.51) MCL1PTGER1BAK1PTPN1
SCHEMBL7916872 0.74 MAOB (0.52) MCL1PTGER1BAK1PTPN1
SCHEMBL4551574 0.74 PRMT5 (0.49) DHODHMCL1POLBPTPN1
SCHEMBL12379065 0.72 PTGER1 (0.53) MCL1PTGER1BAK1PTPN1
SCHEMBL8896984 0.71 PTGER1 (0.51) MCL1PTGER1
SCHEMBL1396290 0.71 ALDH1A1 (0.57) MCL1PTGER1PTPN1
SCHEMBL4132651 0.71 MCL1 (0.61) DHODHMCL1PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097420-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Products Inc. (US) 2009-09-09 EP disclosed
WO-2008065508-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER PRODUCTS INC. (US) 2008-06-05 WO disclosed