SCHEMBL7039744

SCHEMBL7039744

CCC(O)c1cnc(-c2ccccc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
LMNA P02545 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 4/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
HPGDS O60760 2/20 0.44
MAPT P10636 5/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 2/20 0.40
HPGD P15428 3/20 0.40
IDH1 O75874 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CDC7 O00311 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
SCHEMBL14815558 0.84 TRPM8 (0.45) SMN1; SMN2KDM4E
SCHEMBL10191826 0.82 ALDH1A1 (0.42) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL12790160 0.81 ALDH1A1 (0.46) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL14829898 0.81 GPR142 (0.44) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL12788371 0.78 NPC1 (0.46) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL2819462 0.78 ALDH1A1 (0.47) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL14814420 0.77 ILK (0.36) CDC7DBF4
SCHEMBL14826117 0.76 IDO1 (0.36)
SCHEMBL2199263 0.75 NPC1 (0.44) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL20558976 0.75 NPC1 (0.44) ALDH1A1NPC1RAB9ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0676409-B1 Erythromycin derivatives, their process for preparation and their application as medicaments AVENTIS PHARMA SA (FR) 2003-03-19 EP disclosed
WO-1995027720-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS DRUGS ROUSSEL UCLAF (FR) 1995-10-19 WO disclosed
EP-0676409-A1 Erythromycin derivatives, their process for preparation and their application as medicaments ROUSSEL UCLAF (FR) 1995-10-11 EP disclosed