SCHEMBL3960092

SCHEMBL3960092

COCCn1c(C)nc2cc(C(=O)O)cc(O)c21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 14/20 0.43
HCAR3 P49019 1/20 0.43
KDM4E B2RXH2 1/20 0.39
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGS2 P35354 1/20 0.37

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
SCHEMBL1940964 0.89 KDM4E (0.49) PTGER4KDM4EBRD4ALDH1A1MEN1
SCHEMBL1943217 0.86 PTGER4 (0.44) PTGER4HCAR3KDM4EBRD4ALDH1A1
SCHEMBL1942259 0.82 PTGER4 (0.35) PTGER4KDM4EBRD4ALDH1A1
SCHEMBL1942913 0.79 GLP1R (0.45) PTGER4KDM4EALDH1A1MEN1KMT2A
SCHEMBL5598194 0.77 PTGER4 (0.41) PTGER4HCAR3
SCHEMBL5598558 0.76 PPARA (0.43) PTGER4ALDH1A1
SCHEMBL1943031 0.70 LMNA (0.46) PTGER4KDM4EALDH1A1MEN1KMT2A
SCHEMBL1940860 0.69 BRD4 (0.45) PTGER4KDM4EBRD4ALDH1A1MEN1
SCHEMBL28950510 0.69 CA12 (0.47) KDM4EALDH1A1MEN1THRBKMT2A
SCHEMBL1942633 0.68 PTGER4 (0.35) PTGER4KDM4EBRD4ALDH1A1MEN1

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-2081939-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE ACID PUMP INHIBITORS RaQualia Pharma Inc (JP) 2009-07-29 EP disclosed
WO-2008035195-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE ACID PUMP INHIBITORS RAQUALIA PHARMA INC. (JP) 2008-03-27 WO disclosed