SCHEMBL7751111

SCHEMBL7751111

O=C(O)CC1(OCc2ccc3ccccc3n2)C=CC(c2ccccc2)=C(F)C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 12/20 0.41
CYSLTR2 Q9NS75 11/20 0.41
GPBAR1 Q8TDU6 3/20 0.39
FFAR1 O14842 1/20 0.39
AKR1B1 P15121 1/20 0.39
ALOX5AP P20292 1/20 0.37
ALOX5 P09917 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL7744051 0.66 CYSLTR1 (0.40) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL4078571 0.64 CYSLTR1 (0.48) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
Acetic Acid SCHEMBL3951221 0.62 GPBAR1 (0.58) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL8500737 0.62 FFAR1 (0.35) FFAR1
SCHEMBL9124616 0.61 CYSLTR1 (0.68) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL140815 0.61 CYP1A2 (0.65) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL8586332 0.61 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL9123403 0.60 CYSLTR1 (0.67) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL9122067 0.60 CYSLTR1 (0.67) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL9123140 0.60 CYSLTR1 (0.67) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1

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
WO-2001034133-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO claimed
WO-2001034134-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO claimed
WO-2001034199-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO claimed
WO-2001034133-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO disclosed