SCHEMBL8416461

SCHEMBL8416461

COC(=O)CCc1c(OC)cccc1C(O)CCCCCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.51
PPARA Q07869 2/20 0.43
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ALOX5 P09917 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34

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
SCHEMBL8415924 0.84 PPARG (0.44) PPARGPPARAHDAC1HDAC6HDAC3
SCHEMBL8777227 0.77 PDE3B (0.49) KDM4EPDE3BPDE3AEGFRSRC
SCHEMBL29234372 0.76 PPARG (0.47) PPARGALOX5
SCHEMBL29234371 0.76 PPARG (0.47) PPARGALOX5
SCHEMBL8686240 0.75 PPARG (0.45) PPARGPPARAKDM4E
SCHEMBL6755950 0.72 CNR1 (0.57) PPARG
SCHEMBL27990055 0.71 PDE3B (0.44) KDM4EPDE3BPDE3AEGFRSRC
SCHEMBL9120258 0.70 CYP4F2 (0.46) PPARAHDAC1HDAC6CYP4F2CYP4A11
SCHEMBL8686238 0.70 PPARG (0.49) PPARGPPARAALOX5KDM4E
SCHEMBL8463994 0.70 LTB4R (0.54)

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
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
US-5256686-A Antiinflammatory agent, antiallergens ONO PHARMACEUTICAL CO., LTD. (JP) 1993-10-26 US 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