SCHEMBL8650720

SCHEMBL8650720

O=C(Nc1cc(C(=O)O)cc(C(=O)O)c1)Oc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.52
CYP1A2 P05177 2/20 0.49
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 4/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.46
PPARA Q07869 3/20 0.46
HPGD P15428 1/20 0.46
MITF O75030 1/20 0.45
MAPT P10636 2/20 0.44
RAB9A P51151 1/20 0.43
S1PR2 O95136 1/20 0.43

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
SCHEMBL2808736 0.85 CYP1A2 (0.65) CYP1A2KDM4EL3MBTL1ALDH1A1GAA
SCHEMBL8647344 0.84 KMT2A (0.58) CYP1A2KDM4EL3MBTL1ALDH1A1GAA
SCHEMBL8651102 0.84 SMN1; SMN2 (0.67) CYP1A2KDM4EALDH1A1GAAHTT
SCHEMBL2813628 0.82 CYP1A2 (0.65) CYP1A2KDM4EL3MBTL1ALDH1A1GAA
SCHEMBL2808061 0.81 MEN1 (0.63) CYP1A2KDM4EALDH1A1GAAHTT
SCHEMBL2811844 0.81 MEN1 (0.63) FAAHCYP1A2KDM4EALDH1A1GAA
SCHEMBL13132593 0.81 CYP1A2 (0.46) CYP1A2KDM4EL3MBTL1ALDH1A1GAA
SCHEMBL8651246 0.80 KDM4E (0.50) FAAHCYP1A2KDM4EL3MBTL1ALDH1A1
SCHEMBL28395058 0.80 ALDH1A1 (0.70) FAAHCYP1A2KDM4EALDH1A1GAA
SCHEMBL8647443 0.80 KMT2A (0.62) KDM4EALDH1A1GAASMN1; SMN2PKM

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-5807688-A ANTIBODY DIRECTED ANZYME PRODRUG THERAPY ZENECA LIMITED (GB) 1998-09-15 US disclosed
EP-0745673-A2 Catalytic antibody regulated prodrug therapy ZENECA LIMITED (GB) 1996-12-04 EP disclosed