SCHEMBL9018916

SCHEMBL9018916

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.67
GPBAR1 Q8TDU6 3/20 0.59
HDAC6 Q9UBN7 1/20 0.59
CYSLTR2 Q9NS75 9/20 0.58
CYSLTR1 Q9Y271 9/20 0.58
MAPK1 P28482 2/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
CYP2C19 P33261 1/20 0.57
HIF1A Q16665 1/20 0.57
MEN1 O00255 1/20 0.57
GMNN O75496 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
HPGD P15428 1/20 0.57
PTGS1 P23219 1/20 0.57

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
SCHEMBL10411470 0.99 ALOX5 (0.66) ALOX5GPBAR1HDAC6CYSLTR2CYSLTR1
SCHEMBL9498315 0.97 ALOX5 (0.63) ALOX5GPBAR1HDAC6CYSLTR2CYSLTR1
SCHEMBL8646511 0.93 CYSLTR2 (0.63) ALOX5GPBAR1HDAC6CYSLTR2CYSLTR1
SCHEMBL10410383 0.89 CYSLTR2 (0.62) ALOX5GPBAR1HDAC6CYSLTR2CYSLTR1
SCHEMBL10410457 0.89 ALOX5 (0.62) ALOX5GPBAR1CYSLTR2CYSLTR1MAPK1
SCHEMBL10411468 0.89 ALOX5 (0.62) ALOX5GPBAR1HDAC6CYSLTR2CYSLTR1
SCHEMBL10410421 0.89 ALOX5 (0.61) ALOX5GPBAR1HDAC6CYSLTR2CYSLTR1
SCHEMBL10410643 0.89 GPBAR1 (0.64) ALOX5GPBAR1HDAC6CYSLTR2CYSLTR1
SCHEMBL8715482 0.87 CYSLTR2 (0.60) ALOX5GPBAR1HDAC6CYSLTR2CYSLTR1
SCHEMBL9499746 0.86 CYSLTR2 (0.59) ALOX5GPBAR1CYSLTR2CYSLTR1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-0414019-B1 Subsituted N-(quinolin-2-yl-methoxy)benzylsulfonylureas BAYER AG (DE) 1996-05-29 EP 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-5179106-A SUBSTITUTED N-(QUINOLIN-2-YL-METHOXY) BENZYL-SULPHONYLUREA LEUKOTRIENE SYNTHESIS INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1993-01-12 US 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