SCHEMBL8922092

SCHEMBL8922092

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
ALDH1A1 P00352 6/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL8689968 1.00 MAPT (0.37) MAPTALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL8694952 0.92 MAPT (0.36) MAPTALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL8924296 0.92 MAPT (0.36) MAPTALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL9520885 0.91 ALDH1A1 (0.37) MAPTALDH1A1HPGDRAB9AL3MBTL1
SCHEMBL8695041 0.91 ALDH1A1 (0.37) MAPTALDH1A1HPGDRAB9AL3MBTL1
SCHEMBL8923335 0.91 ALDH1A1 (0.37) MAPTALDH1A1HPGDRAB9AL3MBTL1
SCHEMBL8692334 0.88 CCR5 (0.35) MAPTALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL8693094 0.88 ALDH1A1 (0.37) MAPTALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL8923966 0.88 ALDH1A1 (0.37) MAPTALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL8924299 0.87 MAPT (0.37) MAPTALDH1A1HPGDLMNASMN1; SMN2

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
US-5641770-A THIENAMYCINS ANTIBIOTICS CHONG KUN DANG CORP. (KR) 1997-06-24 US disclosed
WO-1994014811-A1 2-(2-SUBSTITUTED PYRROLIDIN-4-YL)THIO-CARBAPENEM DERIVATIVES CHONG KUN DANG CORP. (KR) 1994-07-07 WO disclosed