SCHEMBL3882585

SCHEMBL3882585

CC1CCC(Oc2c(-c3ccc4ccccc4c3)cc(CCC(=O)O)cc2[N+](=O)[O-])CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 9/20 0.42
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
FFAR1 O14842 4/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
FBP1 P09467 1/20 0.35
HDAC1 Q13547 1/20 0.34
CYP1A2 P05177 1/20 0.34
EPHX2 P34913 2/20 0.34

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
SCHEMBL3882586 1.00 FFAR4 (0.42) FFAR4CCNCCDK8THRATHRB
SCHEMBL3896066 0.92 FFAR4 (0.48) FFAR4CCNCCDK8THRATHRB
SCHEMBL3883156 0.91 CCNC (0.43) FFAR4CCNCCDK8ALDH1A1LMNA
SCHEMBL3883158 0.91 CCNC (0.43) FFAR4CCNCCDK8ALDH1A1LMNA
SCHEMBL3884845 0.91 THRA (0.49) FFAR4CCNCCDK8THRATHRB
SCHEMBL3885078 0.87 FFAR4 (0.44) FFAR4CCNCCDK8THRATHRB
SCHEMBL3892987 0.87 AKR1C3 (0.36)
SCHEMBL3888801 0.86 FFAR4 (0.41) FFAR4CCNCCDK8THRATHRB
SCHEMBL3888806 0.86 FFAR4 (0.41) FFAR4CCNCCDK8THRATHRB
SCHEMBL3882504 0.85 FFAR4 (0.45) FFAR4CCNCCDK8THRATHRB

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
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed