SCHEMBL3885360

SCHEMBL3885360

CC(Oc1c(-c2ccc3ccccc3c2)cc(CCC(=O)O)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 3/20 0.43
FFAR1 O14842 4/20 0.41
FFAR4 Q5NUL3 6/20 0.41
UTS2R Q9UKP6 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TPH1 P17752 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 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
SCHEMBL3882466 0.92 CCNC (0.41) AKR1C3AKR1C2UTS2RPPARGPPARA
SCHEMBL3885022 0.91 FFAR1 (0.49) AKR1C3AKR1C2FFAR1FFAR4TPH1
SCHEMBL3946539 0.89 AKR1C3 (0.44) AKR1C3AKR1C2FFAR1UTS2RPTGDR2
SCHEMBL3946551 0.89 AKR1C3 (0.44) AKR1C3AKR1C2FFAR1UTS2RPTGDR2
SCHEMBL3946547 0.87 AKR1C3 (0.43) AKR1C3AKR1C2FFAR1FFAR4PTGDR2
SCHEMBL3881043 0.86 AKR1C3 (0.46) AKR1C3AKR1C2FFAR1FFAR4UTS2R
SCHEMBL3882277 0.84 FFAR4 (0.49) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL3883628 0.84 CCNC (0.45) AKR1C3AKR1C2FFAR1FFAR4MEN1
SCHEMBL3682322 0.80 FFAR4 (0.47) FFAR1FFAR4MEN1KMT2ACCNC
SCHEMBL3882257 0.80 AKR1C3 (0.41) AKR1C3AKR1C2FFAR1PPARGPPARA

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