SCHEMBL9030875

SCHEMBL9030875

CCCCCCC(=O)C1(CCCOc2ccc3c(c2)C=C(c2nccn2C)C(CCc2ccc(F)cc2)O3)CCCC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.32
CNR2 P34972 5/20 0.30
CNR1 P21554 3/20 0.30

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
SCHEMBL9031031 0.91 S1PR1 (0.31)
SCHEMBL9030461 0.84 ALOX5 (0.37) ALOX5
SCHEMBL9030229 0.79 TBXAS1 (0.34)
SCHEMBL9030533 0.73 PPARG (0.33)
SCHEMBL9029933 0.71 ALOX5 (0.36) ALOX5
SCHEMBL9029914 0.70 HTR2A (0.32)
SCHEMBL9029136 0.70 ALOX5 (0.35) ALOX5
SCHEMBL9030937 0.69 POLB (0.37) ALOX5
SCHEMBL9769494 0.69 ALOX5 (0.35) ALOX5
Hydrochloric Acid SCHEMBL9769504 0.69 ALOX5 (0.34) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513285-B1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA SPA (IT) 1996-01-24 EP disclosed
US-5356920-A Anticholesterol, antilipemic agent FARMITALIA CARLO ERBA SRL. (IT) 1994-10-18 US disclosed
WO-1992009582-A1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA SRL (IT) 1992-06-11 WO disclosed