SCHEMBL7907439

SCHEMBL7907439

COC(=O)c1ccc(OCc2ccc(OC)cc2)cc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.56
FFAR4 Q5NUL3 1/20 0.55
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
KDM4E B2RXH2 2/20 0.54
PPARA Q07869 1/20 0.54
GAA P10253 1/20 0.54
SMPD1 P17405 1/20 0.53
POLB P06746 1/20 0.52
TP53 P04637 1/20 0.51
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ABCB1 P08183 1/20 0.51
FFAR1 O14842 1/20 0.51
BCHE P06276 1/20 0.51

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
SCHEMBL3962253 0.95 MAOB (0.61) MAOBFFAR4RAB9ASMN1; SMN2NPC1
SCHEMBL11557673 0.93 KDM4E (0.60) MAOBFFAR4RAB9ASMN1; SMN2NPC1
SCHEMBL3191667 0.92 MAOB (0.58) MAOBFFAR4RAB9ASMN1; SMN2NPC1
SCHEMBL7910785 0.91 MAOB (0.59) MAOBRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL29032389 0.91 SMPD1 (0.53) FFAR4RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL7910894 0.90 FFAR4 (0.65) MAOBFFAR4PPARAMRGPRX4
SCHEMBL7910948 0.90 MAOB (0.57) MAOBFFAR4RAB9ASMN1; SMN2NPC1
SCHEMBL7911112 0.90 MAOB (0.57) MAOBFFAR4RAB9ASMN1; SMN2NPC1
SCHEMBL21924287 0.89 MAOB (0.58) MAOBFFAR4RAB9ASMN1; SMN2NPC1
SCHEMBL7900610 0.89 RAB9A (0.58) MAOBRAB9ASMN1; SMN2NPC1KDM4E

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-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