SCHEMBL7356368

SCHEMBL7356368

CCCCC(C(=O)O)(C(=O)O)C(C)CC.O=C(O)C(Cc1ccccc1)(Cc1ccccc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
HIF1A Q16665 1/20 0.37
CTSK P43235 5/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CNR2 P34972 2/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
CTSL P07711 2/20 0.36
TRPA1 O75762 2/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.35
KIF11 P52732 1/20 0.35
KCNH2 Q12809 2/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
MRGPRX2 Q96LB1 1/20 0.35
CHRM3 P20309 1/20 0.35
HRH2 P25021 1/20 0.35

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
SCHEMBL7356375 0.82 SMN1; SMN2 (0.46) SMN1; SMN2HIF1ACTSKALDH1A1LMNA
SCHEMBL28003878 0.81 SMN1; SMN2 (0.47) SMN1; SMN2HIF1ACTSKALDH1A1LMNA
SCHEMBL31147036 0.76 SMN1; SMN2 (0.46) SMN1; SMN2HIF1AALDH1A1LMNACNR2
SCHEMBL7008212 0.75 MMP1 (0.47) SMN1; SMN2HIF1AALDH1A1LMNAMMP1
SCHEMBL27869079 0.74 SMN1; SMN2 (0.50) SMN1; SMN2HIF1AALDH1A1LMNAARG1
SCHEMBL338742 0.73 SMN1; SMN2 (0.61) SMN1; SMN2HIF1AALDH1A1LMNAARG1
SCHEMBL8376369 0.73 SMN1; SMN2 (0.40) SMN1; SMN2HIF1ACTSKALDH1A1LMNA
SCHEMBL21269769 0.72 SMN1; SMN2 (0.59) SMN1; SMN2HIF1AALDH1A1LMNAARG1
SCHEMBL21268824 0.72 SMN1; SMN2 (0.59) SMN1; SMN2HIF1AALDH1A1LMNAARG1
SCHEMBL21269594 0.72 SMN1; SMN2 (0.59) SMN1; SMN2HIF1AALDH1A1LMNAARG1

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-0722321-A4 SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS UNIV FLORIDA STATE (US) 1998-04-15 EP disclosed
EP-0722321-A1 SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1996-07-24 EP disclosed
WO-1995009620-A1 SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1995-04-13 WO disclosed