SCHEMBL8435906

SCHEMBL8435906

COc1ccc(CS[C@H]2C[C@@H](C(=O)N3CCC(N(C)C)C3)N(C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRIN2B Q13224 1/20 0.37
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CCR5 P51681 3/20 0.35
NPFFR1 Q9GZQ6 1/20 0.35
NPFFR2 Q9Y5X5 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
SCHEMBL9574217 1.00 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
SCHEMBL9574299 1.00 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
SCHEMBL8607827 0.94 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
SCHEMBL8577735 0.94 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
SCHEMBL8438310 0.89 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
SCHEMBL8438306 0.89 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
Hydrochloric Acid SCHEMBL8438116 0.89 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
Hydrochloric Acid SCHEMBL8438164 0.89 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
Hydrochloric Acid SCHEMBL8438115 0.89 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
SCHEMBL7459542 0.88 GRIN2B (0.38) ALDH1A1MAPTSMN1; SMN2GAAMAPK1

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-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed