SCHEMBL3883685

SCHEMBL3883685

CC(Cc1cc(-c2ccc3ccccc3c2)c(OCC2CCCC2)c([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
GPR88 Q9GZN0 3/20 0.35
FABP4 P15090 3/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR5 Q9H228 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
APP P05067 2/20 0.34
MCL1 Q07820 1/20 0.34
BCL2A1 Q16548 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL3880962 0.88 FFAR4 (0.37) AKR1C3AKR1C2PTGER1PTGER4PTGER3
SCHEMBL3883991 0.87 APP (0.38) AKR1C3AKR1C2PTGER1PTGER4PTGER3
SCHEMBL3893664 0.87 PTGS2 (0.39) FABP4THRATHRBAPPMCL1
SCHEMBL3897931 0.86 CHRNA7 (0.36)
SCHEMBL3882367 0.86 FABP4 (0.44) AKR1C3AKR1C2GPR88FABP4PTGER1
SCHEMBL3881060 0.86 THRA (0.49) FABP4THRATHRBMCL1BCL2A1
SCHEMBL3892394 0.86 AKR1C3 (0.38) AKR1C3AKR1C2GPR88FABP4PTGER1
SCHEMBL3885031 0.86 MYC (0.42) AKR1C3AKR1C2PTGER1PTGER4PTGER3
SCHEMBL3883891 0.84 XDH (0.39) AKR1C3AKR1C2PTGER1PTGER4PTGER3
SCHEMBL3882989 0.84 AKR1C3 (0.38) AKR1C3AKR1C2PTGER1PTGER4PTGER3

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