SCHEMBL10410643

SCHEMBL10410643

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

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.64
ALOX5 P09917 7/20 0.63
HDAC6 Q9UBN7 1/20 0.63
CYSLTR1 Q9Y271 7/20 0.60
CYSLTR2 Q9NS75 6/20 0.60
FFAR1 O14842 1/20 0.59
AKR1B1 P15121 1/20 0.59
PDE10A Q9Y233 2/20 0.57
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
SCHEMBL8646511 0.91 CYSLTR2 (0.63) GPBAR1ALOX5HDAC6CYSLTR1CYSLTR2
SCHEMBL8712488 0.89 GPBAR1 (0.59) GPBAR1ALOX5HDAC6CYSLTR1CYSLTR2
SCHEMBL9018916 0.89 ALOX5 (0.67) GPBAR1ALOX5HDAC6CYSLTR1CYSLTR2
SCHEMBL10410134 0.88 CYSLTR1 (0.58) GPBAR1ALOX5HDAC6CYSLTR1CYSLTR2
SCHEMBL10410414 0.88 GPBAR1 (0.61) GPBAR1ALOX5HDAC6CYSLTR1CYSLTR2
SCHEMBL8712489 0.88 CYSLTR1 (0.60) GPBAR1ALOX5HDAC6CYSLTR1CYSLTR2
SCHEMBL9498315 0.88 ALOX5 (0.63) GPBAR1ALOX5HDAC6CYSLTR1CYSLTR2
SCHEMBL10411470 0.88 ALOX5 (0.66) GPBAR1ALOX5HDAC6CYSLTR1CYSLTR2
SCHEMBL8649120 0.87 GPBAR1 (0.60) GPBAR1ALOX5HDAC6CYSLTR1CYSLTR2
SCHEMBL10410135 0.85 GPBAR1 (0.58) GPBAR1ALOX5HDAC6CYSLTR1CYSLTR2

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 1 patent. 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 disclosed