SCHEMBL6768631

SCHEMBL6768631

COC(=O)c1ccccc1NC(=O)NCCCl

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.71
KDM4E B2RXH2 11/20 0.66
ALDH1A1 P00352 10/20 0.66
KMT2A Q03164 4/20 0.63
NPC1 O15118 1/20 0.63
HTT P42858 1/20 0.63
RAB9A P51151 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HSD17B10 Q99714 4/20 0.59
ALOX15 P16050 2/20 0.59
MAPK1 P28482 1/20 0.59
LMNA P02545 1/20 0.57
HPGD P15428 3/20 0.56
TSHR P16473 1/20 0.56
GLA P06280 1/20 0.54
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL10362611 0.87 GAA (0.78) GAAKDM4EALDH1A1KMT2ANPC1
SCHEMBL10362641 0.84 GAA (0.74) GAAKDM4EALDH1A1KMT2ANPC1
SCHEMBL10364418 0.84 GAA (0.69) GAAKDM4EALDH1A1KMT2ANPC1
SCHEMBL8458301 0.83 CFD (0.65) GAAKDM4EALDH1A1KMT2ANPC1
SCHEMBL10363515 0.83 GAA (1.00) GAAKDM4EALDH1A1KMT2ANPC1
SCHEMBL10362772 0.83 ALDH1A1 (0.75) GAAKDM4EALDH1A1KMT2ANPC1
SCHEMBL10362736 0.82 GAA (0.70) GAAKDM4EALDH1A1KMT2ANPC1
SCHEMBL10363617 0.82 GAA (0.70) GAAKDM4EALDH1A1KMT2ANPC1
SCHEMBL29098671 0.82 GAA (0.70) GAAKDM4EALDH1A1KMT2ANPC1
SCHEMBL1589861 0.81 KMT2A (0.78) GAAKDM4EALDH1A1KMT2AHTT

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-6686353-B1 PREVENTING BLOOD MONOCYTES AND LYMPHOCYTES FROM INFILTRATING TISSUE TEIJIN INTELLECTUAL PROPERTY CENTER LIMITED (JP) 2004-02-03 US disclosed
EP-0914319-B1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LTD (JP) 2001-11-21 EP disclosed