SCHEMBL8420262

SCHEMBL8420262

C/C(=C\C(=O)Cl)c1ccc(OCCc2ccccc2)c(C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.45
LTB4R2 Q9NPC1 3/20 0.45
PDE4A P27815 4/20 0.42
PDE4B Q07343 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
FOLH1 Q04609 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTPN11 Q06124 1/20 0.40
PTPN2 P17706 2/20 0.40
PTPN1 P18031 2/20 0.40
ACP1 P24666 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL8418446 0.84 LTB4R (0.65) LTB4RLTB4R2
SCHEMBL8420264 0.78 KDM4E (0.49) PDE4APDE4BPDE4CPDE4DFOLH1
SCHEMBL7990836 0.75 LTB4R (0.71) LTB4RLTB4R2
SCHEMBL7990834 0.75 LTB4R (0.71) LTB4RLTB4R2
SCHEMBL7990835 0.75 LTB4R (0.71) LTB4RLTB4R2
SCHEMBL8560587 0.75 LTB4R (0.57) LTB4RLTB4R2
SCHEMBL2933672 0.74 CYP2C9 (0.58) PDE4APDE4BPDE4CPDE4DFOLH1
SCHEMBL7178691 0.73 AKR1C3 (0.49) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4371596 0.72 FOLH1 (0.74) FOLH1KDM4EALDH1A1POLBL3MBTL1
SCHEMBL301122 0.72 ALDH1A1 (0.69) KDM4EALDH1A1L3MBTL1CNR1CNR2

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