SCHEMBL8449407

SCHEMBL8449407

COc1ccc(CS[C@H]2C[C@@H](C(=O)N3CC[C@H](CN(C)C(=O)OCc4ccc([N+](=O)[O-])cc4)C3)N(C)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRIN2B Q13224 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CCR5 P51681 3/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL8447449 1.00 ALDH1A1 (0.38) ALDH1A1MAPTSMN1; SMN2GAAKCNJ1
SCHEMBL8444913 0.92 GRIN2B (0.38) ALDH1A1MAPTSMN1; SMN2GAAKCNJ1
SCHEMBL7459542 0.92 GRIN2B (0.38) ALDH1A1MAPTSMN1; SMN2GAAKCNJ1
SCHEMBL7453985 0.86 GAA (0.42) ALDH1A1MAPTSMN1; SMN2GAAKCNJ1
SCHEMBL7453992 0.86 GAA (0.42) ALDH1A1MAPTSMN1; SMN2GAAKCNJ1
SCHEMBL8447364 0.84 CCR5 (0.37) ALDH1A1MAPTCCR5
SCHEMBL8448979 0.84 CCR5 (0.37) ALDH1A1MAPTCCR5
SCHEMBL8522246 0.83 CCR5 (0.39) ALDH1A1MAPTSMN1; SMN2GAAGRIN2B
SCHEMBL8444914 0.83 GRIN2B (0.37) ALDH1A1MAPTSMN1; SMN2GAAKCNJ1
SCHEMBL8448648 0.83 GRIN2B (0.37) ALDH1A1MAPTSMN1; SMN2GAAKCNJ1

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-5977097-A 1-methylcarbapenem derivatives SANKYO COMPANY LIMITED (JP) 1999-11-02 US disclosed
EP-0900797-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1999-03-10 EP disclosed