SCHEMBL7908707

SCHEMBL7908707

CC(C)COc1ccc(C(=O)O)c(OCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.54
MAOB P27338 1/20 0.53
FOLH1 Q04609 1/20 0.49
ADRB3 P13945 3/20 0.47
ADRB1 P08588 2/20 0.47
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
NR4A2 P43354 2/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
SLC16A3 O15427 1/20 0.46
PTGER1 P34995 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MDH2 P40926 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7907463 0.95 MAOB (0.57) MCL1MAOBADRB3ADRB1LTB4R
SCHEMBL4756552 0.87 MAOB (0.63) MCL1MAOBFOLH1LTB4RLTB4R2
SCHEMBL7908648 0.84 RXRA (0.61) MCL1MAOBFOLH1LTB4RLTB4R2
SCHEMBL712875 0.84 MAOB (0.60) MCL1MAOBADRB3ADRB1LTB4R
SCHEMBL14021709 0.83 MAOB (0.53) MCL1MAOBLTB4RLTB4R2NR4A2
SCHEMBL4277112 0.83 MAOB (0.53) MCL1MAOBMEN1KMT2AALDH1A1
SCHEMBL6404086 0.83 HDAC8 (0.60) MCL1MAOBFOLH1SMN1; SMN2
SCHEMBL31550547 0.83 HDAC8 (0.60) MCL1MAOBFOLH1SMN1; SMN2
SCHEMBL7900610 0.82 RAB9A (0.58) MCL1MAOBFOLH1SMN1; SMN2
SCHEMBL22438599 0.82 PTPN11 (0.55) MCL1MAOBFOLH1LTB4RLTB4R2

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