SCHEMBL7809050

SCHEMBL7809050

CCC(=O)c1cc(F)cc(OCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 2/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
NPC1 O15118 2/20 0.53
HPGD P15428 1/20 0.53
MAOB P27338 4/20 0.52
NR4A2 P43354 5/20 0.51
EGFR P00533 2/20 0.48
PTPN1 P18031 1/20 0.48
NR4A1 P22736 1/20 0.48
NR4A3 Q92570 1/20 0.48
KAT6A Q92794 1/20 0.47
SMPD1 P17405 1/20 0.47

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
SCHEMBL10770964 0.90 MEN1 (0.71) KMT2AMEN1RAB9ASMN1; SMN2MAPT
SCHEMBL8306162 0.85 MEN1 (0.79) KMT2AMEN1SMN1; SMN2MAOBNR4A2
SCHEMBL27395760 0.83 MEN1 (0.57) KMT2AMEN1RAB9ASMN1; SMN2MAPT
SCHEMBL16115550 0.83 KMT2A (0.60) KMT2AMEN1MAOBNR4A2PTPN1
SCHEMBL16137686 0.82 KMT2A (0.59) KMT2AMEN1RAB9ASMN1; SMN2MAPT
SCHEMBL2152475 0.81 MAOB (0.73) KMT2AMEN1RAB9ASMN1; SMN2MAPT
SCHEMBL13411212 0.80 KMT2A (0.54) KMT2AMEN1RAB9ASMN1; SMN2MAPT
SCHEMBL3815690 0.80 SMN1; SMN2 (0.56) KMT2AMEN1RAB9ASMN1; SMN2MAPT
SCHEMBL102983 0.79 RAB9A (0.83) KMT2AMEN1RAB9ASMN1; SMN2MAPT
SCHEMBL27519354 0.79 MAPT (0.54) KMT2AMEN1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788497-B1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC (CA) 2001-05-23 EP disclosed
EP-0788490-B1 BISARYLCARBINOL CINNAMIC ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC (CA) 2000-07-05 EP disclosed
EP-0788497-A1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1997-08-13 EP disclosed
EP-0788490-A1 BISARYLCARBINOL CINNAMIC ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1997-08-13 EP disclosed
US-5552437-A ANTIASTHMATIC, ANTIALLERGIC, ANTIINFLAMMATORY, AND CYTOPROTECTIVE AGENTS MERCK FROSST CANADA, INC. (CA) 1996-09-03 US disclosed
US-5527827-A ANTIASTHMATIC, ANTIALLERGIC, ANTIINFLAMMATORY AND CYTOPROTECTIVE AGENTS MERCK FROSST CANADA, INC. (CA) 1996-06-18 US disclosed
WO-1996013491-A1 BISARYLCARBINOL CINNAMIC ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1996-05-09 WO disclosed
WO-1996013500-A1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1996-05-09 WO disclosed
US-5202326-A Inhibitor of enzyme 5-lipoxygenase; antiinflammatory and antiallergic agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-04-13 US disclosed
EP-0385680-A2 Heterocyclic ethers as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1990-09-05 EP disclosed