SCHEMBL8095754

SCHEMBL8095754

COC(=O)c1ccc(SC(=O)N(C)C)c(I)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.46
ALDH1A1 P00352 7/20 0.46
MAPT P10636 6/20 0.46
KDM4E B2RXH2 5/20 0.46
LMNA P02545 3/20 0.46
HSD17B10 Q99714 3/20 0.46
ALOX15 P16050 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
XDH P47989 1/20 0.44

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
SCHEMBL4211346 0.85 MAPT (0.46) HPGDALDH1A1MAPTKDM4ELMNA
SCHEMBL8087032 0.84 KDM4E (0.57) HPGDALDH1A1MAPTKDM4ELMNA
SCHEMBL7800014 0.83 TPMT (0.41) ALDH1A1MAPTKDM4ETP53HTT
SCHEMBL13495880 0.82 ALDH1A1 (0.50) HPGDALDH1A1MAPTKDM4ELMNA
SCHEMBL6296289 0.81 KDM4E (0.43) HPGDALDH1A1MAPTKDM4ELMNA
SCHEMBL3549964 0.81 MAPT (0.51) HPGDALDH1A1MAPTKDM4ELMNA
SCHEMBL30037411 0.81 MAPT (0.51) HPGDALDH1A1MAPTKDM4ELMNA
SCHEMBL8101046 0.79 HPGD (0.58) HPGDALDH1A1MAPTLMNAMEN1
SCHEMBL20803216 0.78 ALDH1A1 (0.36) HPGDALDH1A1MAPTKDM4ELMNA
SCHEMBL31363552 0.78 ALDH1A1 (0.36) HPGDALDH1A1MAPTKDM4ELMNA

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
US-6030952-A AS HUMAN AND VETERINARY MEDICINE, PARTICULARLY IN THE TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR AND OPHTHALMOLOGIC CONDITIONS, AND IN COSMETIC COMPOSITIONS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIOUES GALDERMA (FR) 2000-02-29 US disclosed