SCHEMBL8740522

SCHEMBL8740522

O=C(O)C=Cc1cc(CSc2ccccc2)ccc1OCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 13/20 0.52
LTB4R2 Q9NPC1 1/20 0.52
AKR1C3 P42330 2/20 0.51
PTGER1 P34995 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46

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
SCHEMBL8740518 1.00 LTB4R (0.52) LTB4RLTB4R2AKR1C3PTGER1PTGER4
SCHEMBL8740524 0.86 LTB4R (0.68) LTB4RLTB4R2AKR1C3PTGER1PTGER4
SCHEMBL8740523 0.86 LTB4R (0.68) LTB4RLTB4R2AKR1C3PTGER1PTGER4
SCHEMBL2983545 0.83 CYP2C9 (0.64) LTB4RPTGER1PTGER4PTGER3PTGER2
SCHEMBL2983550 0.83 CYP2C9 (0.64) LTB4RPTGER1PTGER4PTGER3PTGER2
SCHEMBL8740525 0.80 LTB4R (0.70) LTB4RLTB4R2AKR1C3PTGER1PTGER4
SCHEMBL8740527 0.80 LTB4R (0.70) LTB4RLTB4R2AKR1C3PTGER1PTGER4
SCHEMBL6760032 0.79 LTB4R (0.76) LTB4R
SCHEMBL6760038 0.79 LTB4R (0.76) LTB4R
SCHEMBL8740535 0.76 LTB4R (0.48) LTB4RLTB4R2AKR1C3PTGER1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0732919-A4 DIPHENYL-2-PROPENOATES AND HOMOLOGS THEREOF USEFUL FOR TREATING DISEASES ASSOCIATED WITH LEUKOTRIENE B4 SMITHKLINE BEECHAM CORP (US) 1997-05-02 EP claimed
US-5569677-A TREATING PSORIASIS AND INFLAMMATORY BOWEL DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1996-10-29 US claimed
EP-0732919-A1 DIPHENYL-2-PROPENOATES AND HOMOLOGS THEREOF USEFUL FOR TREATING DISEASES ASSOCIATED WITH LEUKOTRIENE B4 SMITHKLINE BEECHAM CORPORATION (US) 1996-09-25 EP claimed
WO-1995015752-A1 DIPHENYL-2-PROPENOATES AND HOMOLOGS THEREOF USEFUL FOR TREATING DISEASES ASSOCIATED WITH LEUKOTRIENE B4 SMITHKLINE BEECHAM CORPORATION (US) 1995-06-15 WO claimed
EP-0732919-A4 DIPHENYL-2-PROPENOATES AND HOMOLOGS THEREOF USEFUL FOR TREATING DISEASES ASSOCIATED WITH LEUKOTRIENE B4 SMITHKLINE BEECHAM CORP (US) 1997-05-02 EP disclosed
US-5569677-A TREATING PSORIASIS AND INFLAMMATORY BOWEL DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1996-10-29 US disclosed
EP-0732919-A1 DIPHENYL-2-PROPENOATES AND HOMOLOGS THEREOF USEFUL FOR TREATING DISEASES ASSOCIATED WITH LEUKOTRIENE B4 SMITHKLINE BEECHAM CORPORATION (US) 1996-09-25 EP disclosed
WO-1995015752-A1 DIPHENYL-2-PROPENOATES AND HOMOLOGS THEREOF USEFUL FOR TREATING DISEASES ASSOCIATED WITH LEUKOTRIENE B4 SMITHKLINE BEECHAM CORPORATION (US) 1995-06-15 WO disclosed