SCHEMBL8648447

SCHEMBL8648447

COC(=O)C(C)c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.60
CYSLTR1 Q9Y271 6/20 0.57
CYSLTR2 Q9NS75 4/20 0.57
PDE10A Q9Y233 2/20 0.57
ALOX5 P09917 4/20 0.57
HDAC6 Q9UBN7 1/20 0.57
FFAR1 O14842 1/20 0.56
AKR1B1 P15121 1/20 0.56
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
PDE3B Q13370 1/20 0.56
PDE3A Q14432 1/20 0.56

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
SCHEMBL9589932 0.92 ALOX5 (0.66) GPBAR1CYSLTR1ALOX5PDE4APDE4B
SCHEMBL7801682 0.92 ALOX5 (0.66) GPBAR1CYSLTR1ALOX5PDE4APDE4B
SCHEMBL7611388 0.89 GPBAR1 (0.62) GPBAR1CYSLTR1CYSLTR2PDE10AALOX5
SCHEMBL27696314 0.89 GPBAR1 (0.64) GPBAR1CYSLTR1CYSLTR2PDE10AALOX5
SCHEMBL10410628 0.88 GPBAR1 (0.58) GPBAR1CYSLTR1CYSLTR2PDE10AALOX5
SCHEMBL9498149 0.88 ALOX5 (0.69) GPBAR1CYSLTR1CYSLTR2PDE10AALOX5
SCHEMBL9431747 0.87 GPBAR1 (0.59) GPBAR1CYSLTR1CYSLTR2PDE10AALOX5
SCHEMBL8879601 0.87 GPBAR1 (0.59) GPBAR1CYSLTR1CYSLTR2PDE10AALOX5
SCHEMBL8709586 0.87 GPBAR1 (0.62) GPBAR1CYSLTR1CYSLTR2PDE10AALOX5
SCHEMBL10410185 0.86 GPBAR1 (0.56) GPBAR1CYSLTR1CYSLTR2PDE10AALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862557-A1 SYMMETRICAL bis-HETEROARYLMETHOXYPHENYLALKYL CARBOXYLATES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS Abbott Laboratories (US) 1998-09-09 EP disclosed
WO-1997012867-A1 SYMMETRICAL bis-HETEROARYLMETHOXYPHENYLALKYL CARBOXYLATES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1997-04-10 WO disclosed
EP-0339416-B1 OPTIONALLY ALPHA-SUBSTITUTED 4-(QUINOLIN-2-YL-METHOXY)PHENYL ACETIC ACIDS AND ESTERS BAYER AG (DE) 1993-05-26 EP disclosed
US-4929626-A α-substituted 4-(quinolin-2-yl-methoxy)phenylacetic acids and esters and lipoxygenase inhibition therewith BAYER AKTIENGESELLSCHAFT (DE) 1990-05-29 US disclosed
EP-0339416-A1 Optionally alpha-substituted 4-(quinolin-2-yl-methoxy)phenyl acetic acids and esters BAYER AG (DE) 1989-11-02 EP disclosed