SCHEMBL8562961

SCHEMBL8562961

CCN(CC)C(=O)/C(C)=C\c1ccc(SC(c2ccccc2)c2ccccc2)c(OCC(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 13/20 0.45
LTB4R2 Q9NPC1 13/20 0.45
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8422325 0.83 LTB4R (0.63) LTB4RLTB4R2ALDH1A1KDM4EL3MBTL1
SCHEMBL7977450 0.79 LTB4R (0.71) LTB4RLTB4R2
SCHEMBL7977447 0.79 LTB4R (0.71) LTB4RLTB4R2
SCHEMBL7977443 0.79 LTB4R (0.71) LTB4RLTB4R2
SCHEMBL8418931 0.77 LTB4R (0.50) LTB4RLTB4R2ALDH1A1KDM4EPOLB
SCHEMBL8573087 0.77 LTB4R (0.50) LTB4RLTB4R2ALDH1A1KDM4EPOLB
SCHEMBL8569978 0.75 LTB4R (0.52) LTB4RLTB4R2ALDH1A1KDM4EL3MBTL1
SCHEMBL8571699 0.75 LTB4R (0.52) LTB4RLTB4R2ALDH1A1KDM4EL3MBTL1
SCHEMBL8420169 0.75 LTB4R (0.52) LTB4RLTB4R2ALDH1A1KDM4EL3MBTL1
SCHEMBL8422495 0.74 LTB4R (0.52) LTB4RLTB4R2ALDH1A1KDM4E

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