SCHEMBL7994013

SCHEMBL7994013

CC(=O)c1cnc(OCc2ccccc2)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.54
LMNA P02545 3/20 0.52
HPGD P15428 2/20 0.52
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
EGFR P00533 2/20 0.43
NR4A2 P43354 2/20 0.42
NR4A1 P22736 1/20 0.42
NR4A3 Q92570 1/20 0.42
SRC P12931 1/20 0.42
P4HTM Q9NXG6 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7990262 0.80 ALKBH1 (0.40) MAOBMAPTTDP1
SCHEMBL17971071 0.79 LMNA (0.75) MAOBLMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL1545310 0.77 EGFR (0.64) MAOBLMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL29803481 0.77 EGFR (0.64) MAOBLMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL15043883 0.76 MAOB (0.52) MAOBHPGDSMN1; SMN2L3MBTL1MEN1
SCHEMBL14818719 0.75 LMNA (0.44) LMNAHPGDALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL1091737 0.75 MAOB (0.62) MAOBLMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL17300121 0.74 MAOB (0.52) MAOBALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL9540583 0.74 MAOB (0.60) MAOBLMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL18865403 0.72 MAOB (0.61) MAOBLMNAHPGDALDH1A1SMN1; SMN2

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