SCHEMBL8440339

SCHEMBL8440339

CC(C)(C)OC(=O)N1CCN(C(=N)NC(=O)OCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
MAPT P10636 3/20 0.59
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.47
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
GPR119 Q8TDV5 2/20 0.42
KMT2A Q03164 3/20 0.41
P2RX7 Q99572 6/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL5724167 0.86 ALDH1A1 (0.67) ALDH1A1MAPTLMNASMN1; SMN2GPR119
SCHEMBL8435707 0.82 DPP8 (0.48) ALDH1A1MAPTLMNASMN1; SMN2DPP8
SCHEMBL27536768 0.80 ALDH1A1 (0.48) ALDH1A1MAPT
SCHEMBL5724452 0.79 ALDH1A1 (0.50) ALDH1A1MAPTLMNADPP8DPP9
Trifluoroacetic Acid SCHEMBL8439463 0.78 KCNJ1 (0.44) ALDH1A1MAPTDPP8DPP9KMT2A
SCHEMBL2388312 0.77 ALDH1A1 (0.67) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL377491 0.77 ALDH1A1 (0.67) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8449180 0.77 ALDH1A1 (0.47) ALDH1A1MAPTLMNASMN1; SMN2DPP8
SCHEMBL7463372 0.77 ALDH1A1 (0.47) ALDH1A1MAPTLMNASMN1; SMN2DPP8
SCHEMBL8435893 0.76 DPP8 (0.41) ALDH1A1MAPTLMNASMN1; SMN2DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0560613-B1 Antimicrobial carbapenem derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1998-11-25 EP disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0560613-A1 Antimicrobial carbapenem derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1993-09-15 EP disclosed