SCHEMBL8418931

SCHEMBL8418931

CCN(CC)C(=O)/C(C)=C\c1ccc(OCCc2ccccc2)c(OCC(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.50
LTB4R2 Q9NPC1 8/20 0.50
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
AKR1C3 P42330 4/20 0.44
POLB P06746 1/20 0.43
APP P05067 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
PPARG P37231 1/20 0.41
DVL1 O14640 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
SCHEMBL8573087 1.00 LTB4R (0.50) LTB4RLTB4R2APOBEC3AAPOBEC3GAKR1C3
SCHEMBL8420123 0.92 AKR1C3 (0.46) LTB4RLTB4R2AKR1C3APPPTGES
SCHEMBL8418438 0.88 LTB4R (0.54) LTB4RLTB4R2APOBEC3AAPOBEC3GPOLB
SCHEMBL8422487 0.87 KDM4E (0.46) AKR1C3POLBAPPALDH1A1KDM4E
SCHEMBL8420132 0.86 PTGES (0.42) LTB4RLTB4R2AKR1C3PTGESALOX5
SCHEMBL8422459 0.85 PPARG (0.46) AKR1C3APPALDH1A1KDM4EPTGES
SCHEMBL8560590 0.83 TSHR (0.40) AKR1C3POLBAPPALDH1A1KDM4E
SCHEMBL8422495 0.82 LTB4R (0.52) LTB4RLTB4R2AKR1C3APPALDH1A1
SCHEMBL8420169 0.82 LTB4R (0.52) LTB4RLTB4R2POLBAPPALDH1A1
SCHEMBL8571699 0.82 LTB4R (0.52) LTB4RLTB4R2POLBAPPALDH1A1

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