SCHEMBL7900754

SCHEMBL7900754

O=C(O)CCC(Oc1cccc(OCc2ccccc2)c1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
FFAR1 O14842 3/20 0.55
NR4A2 P43354 1/20 0.52
CYSLTR2 Q9NS75 1/20 0.51
CYSLTR1 Q9Y271 1/20 0.51
MAOB P27338 1/20 0.50

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
SCHEMBL7900762 1.00 KMT2A (0.57) KMT2ASMN1; SMN2FFAR1NR4A2CYSLTR2
SCHEMBL7907648 0.88 KMT2A (0.48) KMT2ASMN1; SMN2
SCHEMBL7907655 0.88 KMT2A (0.48) KMT2ASMN1; SMN2
SCHEMBL8550067 0.86 LMNA (0.49) KMT2ASMN1; SMN2FFAR1NR4A2CYSLTR2
SCHEMBL7901057 0.84 MAOB (0.51) MAOB
SCHEMBL7910936 0.83 FFAR1 (0.46) FFAR1MAOB
SCHEMBL7910938 0.83 FFAR1 (0.46) FFAR1MAOB
SCHEMBL7907683 0.81 MAOB (0.56) MAOB
SCHEMBL7907705 0.81 PARP15 (0.47) KMT2ASMN1; SMN2FFAR1
SCHEMBL7907678 0.81 MAOB (0.56) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP claimed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP claimed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO claimed
US-6211234-B1 BENZONITRILE COMPOUNDS WITH ETHER AND SULFIDE GROUPS WITH CARBOXY ACID RHONE-POULENC RORER LIMITED (GB) 2001-04-03 US disclosed
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP disclosed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO disclosed