SCHEMBL8696185

SCHEMBL8696185

CN(C(=O)CCCCc1ccccc1)c1ccc(-c2ccccc2)c(CO)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.52
LTB4R2 Q9NPC1 4/20 0.43
MLYCD O95822 1/20 0.43
MAOB P27338 1/20 0.42
KDM4A O75164 1/20 0.42
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
PHF8 Q9UPP1 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
LTB4R Q15722 6/20 0.41
MAPT P10636 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPY5R Q15761 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL8695659 0.96 ALOX5 (0.47) ALOX5LTB4R2MLYCDMAOBLTB4R
SCHEMBL8695755 0.82 ALOX5 (0.63) ALOX5MLYCDMAOBKDM4AKDM5A
SCHEMBL8701009 0.80 ALOX5 (0.46) ALOX5LTB4R2MLYCDKDM4AKDM5A
SCHEMBL8696461 0.78 ALOX5 (0.56) ALOX5MLYCDMAOBMAPTNPC1
SCHEMBL8698886 0.77 CDK4 (0.56) MAPTNPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL8699518 0.77 ALDH1A1 (0.44) ALOX5LTB4R2MLYCDMAOBKDM4A
SCHEMBL8696569 0.76 ALOX5 (0.46) ALOX5LTB4R2MLYCDMAOBMAPT
SCHEMBL8010609 0.75 ALOX5 (0.60) ALOX5MLYCDMAOBKDM4AKDM5A
SCHEMBL17064249 0.74 ALOX5 (0.55) ALOX5MLYCDMAOBMAPTNPC1
SCHEMBL2200556 0.73 ALOX5 (0.61) ALOX5MLYCDMAOBKDM4AKDM5A

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