SCHEMBL7120970

SCHEMBL7120970

CC(C)CNC(=O)CC(CSc1cccs1)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.45
FCER2 P06734 3/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MMP2 P08253 3/20 0.41
MMP3 P08254 2/20 0.41
MMP7 P09237 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
MMP13 P45452 2/20 0.41
MMP14 P50281 2/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
CYP1A2 P05177 1/20 0.40
RECQL P46063 1/20 0.40
HTT P42858 2/20 0.39
USP2 O75604 1/20 0.38
ADAM17 P78536 1/20 0.38
ALDH1A1 P00352 4/20 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
SCHEMBL20393464 0.75 MMP1 (0.48) MMP1FCER2MAPTHPGDSMN1; SMN2
SCHEMBL7120973 0.72 MMP1 (0.60) MMP1FCER2MAPTHPGDSMN1; SMN2
SCHEMBL7617896 0.68 MMP1 (0.42) MMP1FCER2MAPTHPGDSMN1; SMN2
SCHEMBL7424185 0.68 MMP1 (0.42) MMP1FCER2MAPTHPGDSMN1; SMN2
SCHEMBL28814774 0.68 NPC1 (0.45) MMP1FCER2MAPTHPGDSMN1; SMN2
SCHEMBL19369916 0.67 MMP1 (0.45) MMP1FCER2MAPTHPGDSMN1; SMN2
SCHEMBL24022309 0.67 FBP1 (0.45) MMP1FCER2MAPTHPGDSMN1; SMN2
SCHEMBL7247505 0.67 MAOA (0.50) MMP1FCER2MAPTHPGDSMN1; SMN2
SCHEMBL23879885 0.67 HPGD (0.66) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7374649 0.66 CYP2D6 (0.39) MMP1HPGDMMP8RECQLUSP2

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
EP-1357955-A1 DRUG DELIVERY FROM STENTS Biocompatibles UK Limited (GB) 2003-11-05 EP disclosed
WO-2002055121-A1 DRUG DELIVERY FROM STENTS BIOCOMPATIBLES UK LIMITED (GB) 2002-07-18 WO disclosed