SCHEMBL8570248

SCHEMBL8570248

CCOC(=O)COc1cc(/C=C(/C)C(=O)N(CC)CC)ccc1SCCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.45
LTB4R2 Q9NPC1 2/20 0.45
ABCB1 P08183 1/20 0.44
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 5/20 0.41
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
CASP9 P55211 1/20 0.40
AKR1C3 P42330 2/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 2/20 0.37
PRNP P04156 1/20 0.37
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
APP P05067 1/20 0.37
ALOX5 P09917 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL8418468 0.83 ABCB1 (0.42) LTB4RLTB4R2ABCB1ALDH1A1CASP3
SCHEMBL8599326 0.81 LTB4R (0.69) LTB4RLTB4R2ABCB1
SCHEMBL8570246 0.81 LTB4R (0.69) LTB4RLTB4R2ABCB1
SCHEMBL8418931 0.77 LTB4R (0.50) LTB4RLTB4R2ALDH1A1AKR1C3PPARG
SCHEMBL8573087 0.77 LTB4R (0.50) LTB4RLTB4R2ALDH1A1AKR1C3PPARG
SCHEMBL8560590 0.76 TSHR (0.40) ABCB1ALDH1A1AKR1C3PPARGKDM4E
SCHEMBL8562961 0.74 LTB4R (0.45) LTB4RLTB4R2ALDH1A1KDM4EAPOBEC3A
SCHEMBL8422487 0.74 KDM4E (0.46) ALDH1A1AKR1C3PPARGKDM4EAPP
SCHEMBL8420123 0.73 AKR1C3 (0.46) LTB4RLTB4R2AKR1C3PPARGAPP
SCHEMBL8420132 0.71 PTGES (0.42) LTB4RLTB4R2AKR1C3PPARGALOX5

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