SCHEMBL5044608

SCHEMBL5044608

CCCCCc1ccc(CNC(=O)c2ccc(C[N]Cc3ccc(OC(F)(F)F)cc3)c(Br)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.49
NR1H4 Q96RI1 1/20 0.49
ALDH1A1 P00352 6/20 0.49
HPGD P15428 5/20 0.49
KDM4E B2RXH2 4/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP3A4 P08684 1/20 0.49
HTR2C P28335 1/20 0.48
PPARG P37231 3/20 0.46
PPARA Q07869 3/20 0.46
GAA P10253 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NAMPT P43490 1/20 0.43
TRPV1 Q8NER1 2/20 0.43
MAPK14 Q16539 1/20 0.42
LMNA P02545 1/20 0.41
PPARD Q03181 1/20 0.41

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
SCHEMBL6022083 0.88 TRPV1 (0.48) EPHX2NR1H4ALDH1A1HPGDKDM4E
SCHEMBL5044609 0.88 EPHX2 (0.52) EPHX2NR1H4ALDH1A1HPGDKDM4E
SCHEMBL6023237 0.84 EPHX2 (0.49) EPHX2NR1H4ALDH1A1HPGDKDM4E
SCHEMBL1853096 0.83 ALDH1A1 (0.46) EPHX2NR1H4ALDH1A1HPGDKDM4E
SCHEMBL5040010 0.82 FFAR1 (0.47) EPHX2ALDH1A1HPGDPPARGPPARA
SCHEMBL5048687 0.81 EPHX2 (0.48) EPHX2NR1H4ALDH1A1HPGDKDM4E
SCHEMBL5044898 0.81 EPHX2 (0.51) EPHX2NR1H4ALDH1A1HPGDKDM4E
SCHEMBL5044635 0.81 PPARG (0.50) EPHX2NR1H4ALDH1A1HPGDKDM4E
SCHEMBL4330881 0.79 MAPK14 (0.47) EPHX2NR1H4ALDH1A1HPGDKDM4E
SCHEMBL5047681 0.78 DDR1 (0.43) EPHX2NR1H4ALDH1A1HPGDKDM4E

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-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed