SCHEMBL6014290

SCHEMBL6014290

NC(=O)NC1CCCCC1.O=C(O)c1cnc2cc3c(cc2c1)OCO3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HPGDS O60760 2/20 0.44
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
MAOB P27338 2/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 3/20 0.39
HCAR3 P49019 1/20 0.39
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37

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
Urea SCHEMBL6016094 0.83 MGAM (0.47) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL5553780 0.82 MGAM (0.51) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL6014238 0.81 NPC1 (0.48) NPC1RAB9AHPGDSMN1; SMN2HPGDS
Hydrogen Sulfide SCHEMBL28775857 0.80 MGAM (0.50) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL6014289 0.78 TRPM8 (0.45) NPC1RAB9AHPGDKMT2AALDH1A1
SCHEMBL6014252 0.78 TRPM8 (0.45) NPC1RAB9AHPGDKMT2AALDH1A1
SCHEMBL7508967 0.74 NPC1 (0.62) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL6084961 0.74 NPC1 (0.62) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL19020851 0.73 MGAM (0.51) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL18987604 0.70 HPGDS (0.69) HPGDS

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
WO-2006128268-A1 UREIDIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND THEIR USE ON THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSIDADE FEDERAL DO RIO DE JANEIRO - UFRJ (BR) 2006-12-07 WO claimed
WO-2006128268-A1 UREIDIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND THEIR USE ON THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSIDADE FEDERAL DO RIO DE JANEIRO - UFRJ (BR) 2006-12-07 WO disclosed