SCHEMBL7908997

SCHEMBL7908997

CCC(C)Oc1cc(OCc2ccccc2)ccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.53
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MCL1 Q07820 2/20 0.48
EDNRA P25101 1/20 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
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
MDH2 P40926 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44

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
SCHEMBL712875 0.88 MAOB (0.60) MAOBLMNAL3MBTL1MCL1EDNRA
SCHEMBL4756552 0.84 MAOB (0.63) MAOBLMNAMCL1LTB4RLTB4R2
SCHEMBL7907463 0.83 MAOB (0.57) MAOBMCL1LTB4RLTB4R2NR4A2
SCHEMBL7909000 0.82 MAOB (0.58) MAOBL3MBTL1MCL1LTB4RLTB4R2
SCHEMBL1448026 0.81 MAOB (0.61) MAOBL3MBTL1MCL1LTB4RLTB4R2
SCHEMBL4306417 0.81 TP53 (0.48) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27006310 0.81 TP53 (0.48) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21924233 0.81 MAOB (0.60) MAOBMCL1LTB4RLTB4R2NR4A2
SCHEMBL7910697 0.81 MCL1 (0.50) MAOBLMNAL3MBTL1MCL1
SCHEMBL7908648 0.81 RXRA (0.61) MAOBMCL1LTB4RLTB4R2

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 4 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
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