SCHEMBL5044016

SCHEMBL5044016

CCCCCCCCCCCCNC(=O)c1cccc(CC([NH])c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.53
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
NAAA Q02083 2/20 0.50
MLYCD O95822 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TP53BP1 Q12888 1/20 0.47
EPHX2 P34913 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
NAMPT P43490 2/20 0.45
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43

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
SCHEMBL5048862 0.91 ALDH1A1 (0.56) MRGPRX4ALDH1A1POLBNAAAMLYCD
SCHEMBL5045562 0.90 ALDH1A1 (0.47) MRGPRX4ALDH1A1POLBNAAAMLYCD
SCHEMBL5044168 0.90 ALDH1A1 (0.47) MRGPRX4ALDH1A1POLBNAAAMLYCD
SCHEMBL5048860 0.86 MLYCD (0.53) ALDH1A1NAAAMLYCDSMN1; SMN2EPHX2
SCHEMBL5049250 0.84 SMN1; SMN2 (0.48) ALDH1A1NAAASMN1; SMN2EPHX2HDAC3
SCHEMBL5048870 0.82 MLYCD (0.52) MRGPRX4ALDH1A1POLBNAAAMLYCD
SCHEMBL5044022 0.81 MRGPRX4 (0.56) MRGPRX4ALDH1A1POLBNAAAMLYCD
SCHEMBL5039932 0.81 MLYCD (0.62) ALDH1A1POLBNAAAMLYCDSMN1; SMN2
SCHEMBL6716858 0.81 MLYCD (0.54) ALDH1A1NAAAMLYCDSMN1; SMN2NAMPT
SCHEMBL2358408 0.79 POLB (0.80) MRGPRX4ALDH1A1POLBNAAAMLYCD

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