SCHEMBL3885654

SCHEMBL3885654

CC(C)C(C)COc1c(-c2ccc3ccccc3c2)cc(CCC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
FFAR1 O14842 4/20 0.39
HDAC1 Q13547 1/20 0.38
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
CASR P41180 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
MYC P01106 1/20 0.36
BCL2L1 Q07817 2/20 0.36
MCL1 Q07820 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
FBP1 P09467 1/20 0.35
THRA P10827 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
SCHEMBL3885715 0.92 FFAR4 (0.43) FFAR4CCNCCDK8FFAR1HDAC1
SCHEMBL3880497 0.91 CCNC (0.45) CCNCCDK8HDAC1SLC6A2SLC6A4
SCHEMBL3882989 0.88 AKR1C3 (0.38) FFAR4HDAC1CASRAKR1C3AKR1C2
SCHEMBL3882034 0.87 THRA (0.49) FFAR4CCNCCDK8FFAR1HDAC1
SCHEMBL3682322 0.85 FFAR4 (0.47) FFAR4CCNCCDK8FFAR1HDAC1
SCHEMBL3880464 0.84 FFAR4 (0.44) FFAR4CCNCCDK8FFAR1CYP2D6
SCHEMBL3885022 0.84 FFAR1 (0.49) FFAR4CCNCCDK8FFAR1HDAC1
SCHEMBL3885728 0.83 FFAR1 (0.48) FFAR4CCNCCDK8FFAR1HDAC1
SCHEMBL3882264 0.83 THRA (0.51) FFAR4FFAR1THRATHRB
SCHEMBL3886920 0.83 CCNC (0.46) CCNCCDK8SLC6A2SLC6A4CASR

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