SCHEMBL7761190

SCHEMBL7761190

CC(OS(C)(=O)=O)N(C)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.48
ALDH1A1 P00352 4/20 0.45
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
TSHR P16473 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL8276259 0.84 ABCB1 (0.56) ABCB1ALDH1A1MAPTHPGDCTSL
SCHEMBL5149951 0.79 ABCB1 (0.58) ABCB1ALDH1A1MAPTHPGDCTSL
SCHEMBL14304888 0.78 ABCB1 (0.51) ABCB1ALDH1A1MAPTHPGDCTSL
SCHEMBL567436 0.78 ABCB1 (0.51) ABCB1ALDH1A1MAPTHPGDCTSL
SCHEMBL25100442 0.78 ABCB1 (0.53) ABCB1ALDH1A1MAPTHPGDCTSL
SCHEMBL1460239 0.78 ABCB1 (0.53) ABCB1ALDH1A1MAPTHPGDCTSL
SCHEMBL8697935 0.78 ABCB1 (0.53) ABCB1ALDH1A1MAPTHPGDCTSL
SCHEMBL381080 0.78 ABCB1 (0.53) ABCB1ALDH1A1MAPTHPGDCTSL
SCHEMBL22402324 0.78 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL381082 0.78 ABCB1 (0.53) ABCB1ALDH1A1MAPTHPGDCTSL

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-1100762-A2 ERYTHROMYCIN DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.p.A. (IT) 2001-05-23 EP disclosed
WO-2000006606-A2 ERYTHROMYCIN DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.P.A. (IT) 2000-02-10 WO disclosed