SCHEMBL7990262

SCHEMBL7990262

CC(=O)c1cnc(OCc2c(F)cccc2F)c(O)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 2/20 0.40
MAOB P27338 9/20 0.40
LTB4R Q15722 2/20 0.37
LTB4R2 Q9NPC1 2/20 0.37
GAA P10253 1/20 0.37
MAOA P21397 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
PTGER1 P34995 1/20 0.35
PDE4D Q08499 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7994013 0.80 MAOB (0.54) MAOBTDP1MAPT
SCHEMBL7987092 0.78 LTB4R (0.47) MAOBLTB4RLTB4R2GAAPTGER1
SCHEMBL7993915 0.76 ALKBH1 (0.38) ALKBH1GAATP53MAPT
SCHEMBL7990438 0.75 EGLN1 (0.36) ALKBH1GAA
SCHEMBL2088184 0.73 MAOB (0.68) MAOBMAOA
SCHEMBL2087289 0.73 MAOB (0.70) MAOBGAAMAOA
SCHEMBL14818719 0.72 LMNA (0.44) GAATDP1
SCHEMBL19834602 0.71 ACACA (0.60)
SCHEMBL6239905 0.69 KMT2A (0.52) LTB4RLTB4R2GAA
SCHEMBL31599495 0.67 PIK3CA (0.40) MAOBGAAMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6291530-B1 Aryl-substituted acrylamides with Leukotriene B4 (LTB-4) receptor antagonist activity NOVARTIS AG (CH) 2001-09-18 US disclosed
EP-0942903-A1 ARYL-SUBSTITUTED ACRYLAMIDES WITH LEUKOTRIENE B4 (LTB-4) RECEPTOR ANTAGONIST ACTIVITY Novartis AG (CH) 1999-09-22 EP disclosed
WO-1998013347-A1 ARYL-SUBSTITUTED ACRYLAMIDES WITH LEUKOTRIENE B4 (LTB-4) RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 1998-04-02 WO disclosed