SCHEMBL4008909

SCHEMBL4008909

O=C(O)CCc1cc(-c2ccc3[nH]ccc3c2)c(OC2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.47
THRB P10828 3/20 0.47
FFAR4 Q5NUL3 9/20 0.41
FFAR1 O14842 3/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
ENPP2 Q13822 1/20 0.35
PTGS2 P35354 1/20 0.34
EPHX1 P07099 1/20 0.34
ACHE P22303 1/20 0.34
HTR4 Q13639 1/20 0.34
S1PR1 P21453 1/20 0.33
LMNA P02545 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
SCHEMBL4008911 1.00 THRA (0.47) THRATHRBFFAR4FFAR1F7
SCHEMBL3893894 0.99 THRA (0.45) THRATHRBFFAR4FFAR1F7
SCHEMBL3893900 0.99 THRA (0.45) THRATHRBFFAR4FFAR1F7
SCHEMBL3881793 0.91 THRA (0.36) THRATHRBFFAR4ENPP2PTGS2
SCHEMBL3682491 0.90 CHEK1 (0.37) THRATHRBFFAR4ENPP2PTGS2
SCHEMBL3888474 0.88 THRA (0.46) THRATHRBFFAR4F7F3
SCHEMBL3888470 0.88 THRA (0.46) THRATHRBFFAR4F7F3
SCHEMBL3884991 0.88 ENPP2 (0.38) THRATHRBFFAR4F7F3
SCHEMBL3884996 0.88 ENPP2 (0.38) THRATHRBFFAR4F7F3
SCHEMBL3884845 0.86 THRA (0.49) THRATHRBFFAR4FFAR1

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