SCHEMBL8420271

SCHEMBL8420271

C/C(=C/c1ccc(OC(C)c2ccccc2)c(C(=O)O)c1)C(=O)Cl

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 13/20 0.52
LTB4R2 Q9NPC1 13/20 0.52
RORC P51449 3/20 0.47
LRRK2 Q5S007 1/20 0.41
KDM4E B2RXH2 2/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7168158 0.83 LTB4R (0.54) LTB4RLTB4R2RORCLRRK2KDM4E
SCHEMBL7990834 0.77 LTB4R (0.71) LTB4RLTB4R2RORCLRRK2
SCHEMBL7990836 0.77 LTB4R (0.71) LTB4RLTB4R2RORCLRRK2
SCHEMBL7990835 0.77 LTB4R (0.71) LTB4RLTB4R2RORCLRRK2
SCHEMBL10591294 0.76 LTB4R (0.54) LTB4RLTB4R2RORCLRRK2KDM4E
SCHEMBL10698079 0.75 LTB4R (0.53) LTB4RLTB4R2RORCLRRK2
SCHEMBL312341 0.75 LTB4R (0.53) LTB4RLTB4R2RORCLRRK2KDM4E
SCHEMBL8420264 0.75 KDM4E (0.49) KDM4EALDH1A1POLBL3MBTL1
SCHEMBL7986905 0.74 LTB4R (0.74) LTB4RLTB4R2RORCLRRK2
SCHEMBL7986902 0.74 LTB4R (0.74) LTB4RLTB4R2RORCLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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