SCHEMBL9016543

SCHEMBL9016543

O=Cc1cc(O)ccc1OCC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.69
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 2/20 0.49
POLB P06746 2/20 0.49
TSHR P16473 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ELANE P08246 3/20 0.45
F2 P00734 1/20 0.45
PKM P14618 1/20 0.44
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
PTGDR Q13258 1/20 0.42

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
SCHEMBL5302743 0.87 PTGDR2 (0.63) PTGDR2KDM4ETDP1POLBTSHR
SCHEMBL7285781 0.83 PTGDR2 (0.69) PTGDR2MAPTALDH1A1MEN1KMT2A
SCHEMBL2879909 0.82 PTGDR2 (1.00) PTGDR2MAPTALDH1A1MEN1KMT2A
SCHEMBL29952214 0.82 PTGDR2 (1.00) PTGDR2MAPTALDH1A1MEN1KMT2A
SCHEMBL1714794 0.82 PTGDR2 (0.68) PTGDR2MAPTALDH1A1MEN1KMT2A
SCHEMBL1714052 0.82 PTGDR2 (0.68) PTGDR2MAPTALDH1A1MEN1KMT2A
SCHEMBL5882010 0.80 KDM4E (0.64) PTGDR2MAPTALDH1A1MEN1KMT2A
SCHEMBL5882444 0.80 PTGDR2 (0.64) PTGDR2MAPTALDH1A1MEN1KMT2A
SCHEMBL4034867 0.79 ALDH1A1 (0.51) PTGDR2MAPTALDH1A1MEN1KMT2A
SCHEMBL6599735 0.79 ALDH1A1 (0.49) PTGDR2MAPTALDH1A1MEN1KMT2A

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
US-5574153-A BACTERICIDES ACS DOBFAR S.P.A. (IT) 1996-11-12 US disclosed
EP-0638574-A1 Oxime derivatives of cephalosporanic structure and compounds for their preparation ACS DOBFAR S.p.A. (IT) 1995-02-15 EP disclosed