SCHEMBL7608634

SCHEMBL7608634

CC(CCC(=O)O)(c1ccc(OCc2nc3ccccc3s2)cc1)c1ccc(OCc2nc3ccccc3s2)cc1.[NaH]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
NPC1 O15118 6/20 0.58
RAB9A P51151 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MAPK1 P28482 1/20 0.58
ALOX5 P09917 7/20 0.57
EPHX2 P34913 7/20 0.57
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
HIF1A Q16665 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 1/20 0.55

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
SCHEMBL7607544 0.99 MAPT (0.60) MAPTALDH1A1KDM4ETDP1NPC1
SCHEMBL8309648 0.92 CYSLTR1 (0.54) MAPTALDH1A1KDM4ETDP1NPC1
SCHEMBL8312400 0.91 CYSLTR1 (0.55) MAPTALDH1A1KDM4ETDP1NPC1
SCHEMBL8309656 0.90 CYSLTR1 (0.54) MAPTALDH1A1KDM4ETDP1NPC1
SCHEMBL7608640 0.88 CYP1A2 (0.55) MAPTALDH1A1KDM4ETDP1NPC1
SCHEMBL8309652 0.81 NPC1 (0.47) MAPTALDH1A1KDM4ETDP1NPC1
SCHEMBL8842004 0.81 ALDH1A1 (0.49) MAPTALDH1A1KDM4ETDP1NPC1
SCHEMBL1746753 0.80 SMN1; SMN2 (0.67) MAPTALDH1A1KDM4ETDP1NPC1
SCHEMBL7600501 0.79 PPARD (0.55) MAPTALDH1A1KDM4ETDP1NPC1
SCHEMBL3048632 0.78 CYSLTR1 (0.66) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862557-B1 SYMMETRICAL bis-HETEROARYLMETHOXYPHENYLALKYL CARBOXYLATES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LAB (US) 2002-11-27 EP claimed
US-5843968-A Symmetrical bis-heteroarylmethoxy-phenylalkyl carboxylates as inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1998-12-01 US claimed
EP-0862557-B1 SYMMETRICAL bis-HETEROARYLMETHOXYPHENYLALKYL CARBOXYLATES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LAB (US) 2002-11-27 EP disclosed
US-5843968-A Symmetrical bis-heteroarylmethoxy-phenylalkyl carboxylates as inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1998-12-01 US disclosed
US-5795900-A Symmetrical bis-heteroaryl-methoxy-phenylalkyl carboxylates as inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1998-08-18 US disclosed