SCHEMBL8924296

SCHEMBL8924296

CCOC(=O)CCSC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.36
ALDH1A1 P00352 6/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
LGALS1 P09382 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL8694952 1.00 MAPT (0.36) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL8689968 0.92 MAPT (0.37) MAPTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL8922092 0.92 MAPT (0.37) MAPTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL8921898 0.91 ALDH1A1 (0.36) MAPTALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL8696188 0.91 ALDH1A1 (0.36) MAPTALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL8923966 0.90 ALDH1A1 (0.37) MAPTALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL8693094 0.90 ALDH1A1 (0.37) MAPTALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL8923758 0.88 ALDH1A1 (0.34) MAPTALDH1A1HPGDRAB9AL3MBTL1
SCHEMBL8694615 0.88 ALDH1A1 (0.34) MAPTALDH1A1HPGDRAB9AL3MBTL1
SCHEMBL9202413 0.88 ALDH1A1 (0.35) MAPTALDH1A1HPGDSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5641770-A THIENAMYCINS ANTIBIOTICS CHONG KUN DANG CORP. (KR) 1997-06-24 US disclosed