SCHEMBL8701009

SCHEMBL8701009

CNC(=O)Nc1cc(N(C)C(=O)CCCCc2ccccc2)ccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.46
MLYCD O95822 1/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MCL1 Q07820 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4A O75164 1/20 0.40
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
PHF8 Q9UPP1 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
KMT2A Q03164 2/20 0.38
LTB4R Q15722 1/20 0.38

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
SCHEMBL8699518 0.97 ALDH1A1 (0.44) ALOX5MLYCDMAPTNPC1ALDH1A1
SCHEMBL8695688 0.84 NOX1 (0.36) MLYCDALDH1A1SMN1; SMN2NPSR1HDAC1
SCHEMBL8696185 0.80 ALOX5 (0.52) ALOX5MLYCDMAPTNPC1ALDH1A1
SCHEMBL8697752 0.78 GOT1 (0.53) MAPTALDH1A1MAPK1RAB9AKMT2A
SCHEMBL8695755 0.77 ALOX5 (0.63) ALOX5MLYCDMAPTNPC1ALDH1A1
SCHEMBL8695659 0.77 ALOX5 (0.47) ALOX5MLYCDMAPTNPC1ALDH1A1
SCHEMBL8696594 0.76 NPC1 (0.55) MAPTNPC1ALDH1A1ALOX15NFKB1
SCHEMBL15823604 0.76 ALDH1A1 (0.39) ALOX5MLYCDMAPTNPC1ALDH1A1
SCHEMBL8696461 0.73 ALOX5 (0.56) ALOX5MLYCDMAPTNPC1ALDH1A1
SCHEMBL15822928 0.73 ALDH1A1 (0.39) ALOX5MLYCDMAPTNPC1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5726319-A Biphenyl substituted dipeptide analogs promote release of growth hormone MERCK & CO., INC. (US) 1998-03-10 US claimed
US-5726319-A Biphenyl substituted dipeptide analogs promote release of growth hormone MERCK & CO., INC. (US) 1998-03-10 US disclosed