SCHEMBL8949780

SCHEMBL8949780

CCCCC[C](C)C(C)CCCCC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
FFAR4 Q5NUL3 1/20 0.47
FFAR1 O14842 1/20 0.47
OPRM1 P35372 1/20 0.44
FDPS P14324 4/20 0.43
ACE2 Q9BYF1 1/20 0.42
SPHK1 Q9NYA1 1/20 0.41
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.41
FAAH O00519 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
TP53 P04637 1/20 0.40
GPR84 Q9NQS5 1/20 0.39

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
SCHEMBL7924458 0.98 CA1 (0.50) CA1FFAR4FFAR1OPRM1FDPS
SCHEMBL11202132 0.98 CA1 (0.50) CA1FFAR4FFAR1OPRM1FDPS
SCHEMBL11492630 0.98 CA1 (0.50) CA1FFAR4FFAR1OPRM1FDPS
SCHEMBL7186285 0.98 CA1 (0.50) CA1FFAR4FFAR1OPRM1FDPS
SCHEMBL9692947 0.98 CA1 (0.50) CA1FFAR4FFAR1OPRM1FDPS
SCHEMBL7278088 0.98 CA1 (0.50) CA1FFAR4FFAR1OPRM1FDPS
SCHEMBL11827001 0.98 CA1 (0.50) CA1FFAR4FFAR1OPRM1FDPS
SCHEMBL5489710 0.93 CA1 (0.50) CA1FFAR4FFAR1OPRM1FDPS
SCHEMBL5484425 0.93 CA1 (0.50) CA1FFAR4FFAR1OPRM1FDPS
SCHEMBL2529410 0.91 FFAR4 (0.46) CA1FFAR4FFAR1FDPSACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552441-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
EP-0686151-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-12-13 EP disclosed
US-5324743-A Leukotriene B4 antagonists ELI LILLY AND COMPANY (US) 1994-06-28 US disclosed
US-4338315-A RHINOVIRUSES ELI LILLY AND COMPANY (US) 1982-07-06 US disclosed