SCHEMBL3946547

SCHEMBL3946547

CC(CC(=O)O)c1cc(-c2ccc3ccccc3c2)c(OC(C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.43
AKR1C2 P52895 6/20 0.43
FFAR1 O14842 8/20 0.38
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
EIF4E P06730 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MITF O75030 1/20 0.35
HPGD P15428 1/20 0.35
MC4R P32245 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
SCHEMBL3885360 0.87 AKR1C3 (0.43) AKR1C3AKR1C2FFAR1MEN1ALDH1A1
SCHEMBL3954853 0.86 AKR1C3 (0.46) AKR1C3AKR1C2FFAR1FFAR4
SCHEMBL3946539 0.84 AKR1C3 (0.44) AKR1C3AKR1C2FFAR1MEN1ALDH1A1
SCHEMBL3946551 0.84 AKR1C3 (0.44) AKR1C3AKR1C2FFAR1MEN1ALDH1A1
SCHEMBL3882466 0.82 CCNC (0.41) AKR1C3AKR1C2MEN1ALDH1A1KMT2A
SCHEMBL3885022 0.77 FFAR1 (0.49) AKR1C3AKR1C2FFAR1FFAR4
SCHEMBL3882257 0.74 AKR1C3 (0.41) AKR1C3AKR1C2FFAR1ALDH1A1
SCHEMBL3881043 0.74 AKR1C3 (0.46) AKR1C3AKR1C2FFAR1FFAR4
SCHEMBL3883628 0.73 CCNC (0.45) AKR1C3AKR1C2FFAR1MEN1ALDH1A1
SCHEMBL3954848 0.72 AKR1C3 (0.47) AKR1C3AKR1C2FFAR1

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