SCHEMBL8416442

SCHEMBL8416442

COC(=O)CCc1c(C=O)cccc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.51
ERN1 O75460 1/20 0.51
TLR1 Q15399 1/20 0.51
TLR6 Q9Y2C9 1/20 0.51
NFE2L2 Q16236 4/20 0.44
SRC P12931 2/20 0.44
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
EGFR P00533 1/20 0.40
KDM4E B2RXH2 5/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 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
SCHEMBL9227782 0.87 TLR2 (0.53) TLR2ERN1TLR1TLR6NFE2L2
SCHEMBL8777227 0.86 PDE3B (0.49) SRCPDE3BPDE3ACA1CA2
SCHEMBL9176154 0.80 ERN1 (0.54) TLR2ERN1TLR1TLR6NFE2L2
SCHEMBL27990055 0.79 PDE3B (0.44) SRCPDE3BPDE3ACA1CA2
SCHEMBL5882542 0.78 PDE3B (0.44) ERN1PDE3BPDE3ALMNAALDH1A1
SCHEMBL983185 0.77 TLR2 (0.51) TLR2ERN1TLR1TLR6SRC
SCHEMBL1494208 0.76 ERN1 (0.58) TLR2ERN1TLR1TLR6NFE2L2
SCHEMBL14222446 0.76 TLR2 (0.50) TLR2ERN1TLR1TLR6NFE2L2
SCHEMBL6517024 0.75 TSHR (0.46) SRCCA1CA2EGFRKDM4E
SCHEMBL8413242 0.74 HDAC8 (0.46) PDE3BPDE3AKDM4EHDAC1HDAC8

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 13 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-0544488-B1 Substituted phenyl phenol leukotriene antagonists LILLY CO ELI (US) 1998-03-11 EP disclosed
WO-1996036347-A1 USE OF LEUKOTRIENE ANTAGONISTS FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1996-11-21 WO disclosed
EP-0743064-A1 Leukotriene antagonists for use in the treatment or prevention of alzheimer's disease ELI LILLY AND COMPANY (US) 1996-11-20 EP disclosed
EP-0405116-B1 Phenylalkan(en)oic acids ONO PHARMACEUTICAL CO (JP) 1995-12-06 EP disclosed
US-5462954-A Antiinflammatory, antiallergens; treating asthma ELI LILLY AND COMPANY (US) 1995-10-31 US disclosed
US-5457122-A Leukotriene antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1995-10-10 US disclosed
US-5256686-A Antiinflammatory agent, antiallergens ONO PHARMACEUTICAL CO., LTD. (JP) 1993-10-26 US disclosed
EP-0544488-A2 Substituted phenyl phenol leukotriene antagonists ELI LILLY AND COMPANY (US) 1993-06-02 EP disclosed
US-5155104-A Phenylalkan(en)oic acid ONO PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
US-5086065-A Leukotriene antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1992-02-04 US disclosed
EP-0405116-A2 Phenylalkan(en)oic acids ONO PHARMACEUTICAL CO., LTD. (JP) 1991-01-02 EP disclosed