SCHEMBL8416685

SCHEMBL8416685

COc1ccc(/C=C/CCCCO)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.49
GSK3B P49841 1/20 0.49
KDM4E B2RXH2 3/20 0.48
LMNA P02545 2/20 0.48
CYP3A4 P08684 2/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A1 P04798 2/20 0.47
PTGS2 P35354 2/20 0.47
CYP1B1 Q16678 2/20 0.47
F3 P13726 2/20 0.47
ALOX12 P18054 1/20 0.47
PTGS1 P23219 1/20 0.47
RELA Q04206 2/20 0.47
TRPA1 O75762 1/20 0.47
THRB P10828 1/20 0.46
ATM Q13315 1/20 0.46
CYP1A2 P05177 3/20 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
SCHEMBL9148376 1.00 LTB4R (0.49) LTB4RLTB4R2GSK3BKDM4ELMNA
SCHEMBL4438700 0.87 KDM4E (0.53) GSK3BKDM4ELMNACYP3A4TP53
SCHEMBL6266537 0.87 KDM4E (0.53) GSK3BKDM4ELMNACYP3A4TP53
SCHEMBL6434839 0.84 AHR (0.53) LTB4RLTB4R2KDM4ELMNACYP3A4
SCHEMBL6435102 0.84 AHR (0.53) LTB4RLTB4R2KDM4ELMNACYP3A4
SCHEMBL6434844 0.84 AHR (0.53) LTB4RLTB4R2KDM4ELMNACYP3A4
SCHEMBL15688436 0.83 CNR1 (0.54) LTB4RLTB4R2KDM4ELMNACYP3A4
SCHEMBL17682006 0.83 CNR1 (0.54) LTB4RLTB4R2KDM4ELMNACYP3A4
SCHEMBL2005561 0.83 CNR1 (0.54) LTB4RLTB4R2KDM4ELMNACYP3A4
SCHEMBL19452377 0.83 CNR1 (0.54) LTB4RLTB4R2KDM4ELMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6001877-A OF GIVEN FORMULA, WHICH ACTS AS AN ANTAGONIST OF LEUKOTRIENES; ADMINISTERING TO TREAT LEUKOTRIENE-B4 INDUCED DISEASES, SUCH AS ALLERGIES AND INFLAMMATION ONO PHARMACEUTICAL CO., LTD. (JP) 1999-12-14 US disclosed
US-5795914-A Phenylalkan(en)oic acid ONO PHARMACEUTICAL CO., LTD. (JP) 1998-08-18 US disclosed
EP-0405116-B1 Phenylalkan(en)oic acids ONO PHARMACEUTICAL CO (JP) 1995-12-06 EP disclosed
US-5457122-A Leukotriene antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1995-10-10 US disclosed
EP-0549621-B1 NEW LEUKOTRIENE-B4 ANTAGONISTS, PROCESS FOR PRODUCING THE SAME AND THEIR USE AS MEDICINAL DRUGS SCHERING AG (DE) 1995-09-27 EP disclosed
EP-0442748-B1 Improvements in and relating to leukotriene antagonists LILLY CO ELI (US) 1995-01-11 EP disclosed
US-5352701-A Leukotriene-B4 antagonist compounds and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1994-10-04 US disclosed
US-5256686-A Antiinflammatory agent, antiallergens ONO PHARMACEUTICAL CO., LTD. (JP) 1993-10-26 US disclosed
US-5235064-A Leukotriene antagonists ELI LILLY AND COMPANY (US) 1993-08-10 US disclosed
US-5171882-A Leukotriene antagonists ELI LILLY AND COMPANY (US) 1992-12-15 US disclosed
US-5155104-A Phenylalkan(en)oic acid ONO PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0442748-A1 Improvements in and relating to leukotriene antagonists ELI LILLY AND COMPANY (US) 1991-08-21 EP disclosed
US-4996230-A Antiallergens, antiinflammatory agent ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed
US-4992576-A Antiinflammatory, antiallergens ELI LILLY AND COMPANY (US) 1991-02-12 US disclosed
EP-0405116-A2 Phenylalkan(en)oic acids ONO PHARMACEUTICAL CO., LTD. (JP) 1991-01-02 EP disclosed