SCHEMBL3882034

SCHEMBL3882034

CC(C)CCOc1c(-c2ccc3ccccc3c2)cc(CCC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.49
THRB P10828 2/20 0.49
FFAR4 Q5NUL3 6/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
HDAC1 Q13547 1/20 0.40
XDH P47989 1/20 0.40
FFAR1 O14842 2/20 0.39
BCL2L1 Q07817 2/20 0.38
MCL1 Q07820 1/20 0.38
CSF3R Q99062 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL3881634 0.91 CCNC (0.45) THRATHRBCCNCCDK8HDAC1
SCHEMBL3885715 0.90 FFAR4 (0.43) FFAR4CCNCCDK8HDAC1XDH
SCHEMBL3883891 0.88 XDH (0.39) THRATHRBHDAC1XDHAKR1C3
SCHEMBL3885728 0.87 FFAR1 (0.48) FFAR4CCNCCDK8HDAC1FFAR1
SCHEMBL3885654 0.87 FFAR4 (0.41) THRATHRBFFAR4CCNCCDK8
SCHEMBL3885405 0.86 FFAR1 (0.46) THRATHRBFFAR4CCNCCDK8
SCHEMBL3682322 0.85 FFAR4 (0.47) FFAR4CCNCCDK8HDAC1FFAR1
SCHEMBL3882770 0.84 FFAR4 (0.40) FFAR4CCNCCDK8HDAC1FFAR1
SCHEMBL3882491 0.84 THRA (0.53) THRATHRBFFAR4CCNCCDK8
SCHEMBL3885022 0.84 FFAR1 (0.49) FFAR4CCNCCDK8HDAC1FFAR1

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