SCHEMBL9803399

SCHEMBL9803399

CC(C)(C)OC(=O)N(c1ccc([N+](=O)[O-])cc1)[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36
NR1D1 P20393 1/20 0.36
KMT2A Q03164 2/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.34
AR P10275 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
CRHBP P24387 1/20 0.34
ATM Q13315 1/20 0.34
CRHR2 Q13324 1/20 0.34
TLR9 Q9NR96 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
SCHEMBL7782926 0.81 PPARG (0.41) ALDH1A1PPARGPPARASMN1; SMN2NR1D1
SCHEMBL8373359 0.81 ALDH1A1 (0.41) ALDH1A1PPARGPPARAMAPTLMNA
SCHEMBL8371983 0.81 ALDH1A1 (0.41) ALDH1A1PPARGPPARAMAPTLMNA
SCHEMBL11648038 0.81 ALDH1A1 (0.41) ALDH1A1PPARGPPARAMAPTLMNA
SCHEMBL29395686 0.80 RAB9A (0.45) ALDH1A1MAPTSMN1; SMN2ITGA4ITGB7
SCHEMBL9572048 0.79 ALDH1A1 (0.40) ALDH1A1PPARGPPARAMAPTLMNA
SCHEMBL4516266 0.75 NPC1 (0.39) ALDH1A1PPARGPPARAMAPTSMN1; SMN2
SCHEMBL10521236 0.75 ALDH1A1 (0.41) ALDH1A1PPARGPPARAMAPTLMNA
SCHEMBL3920080 0.74 GSK3B (0.40) ALDH1A1PPARGPPARAMAPTLMNA
SCHEMBL4313273 0.74 MAPT (0.43) ALDH1A1MAPTLMNASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0193904-B1 AMINO ACID DERIVATIVES AND PROCESSES FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-03-06 EP disclosed
US-4743614-A RESTORATIVE PROPERTIES INC IMMUNODEFICIENT HOSTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-05-10 US disclosed
EP-0193904-A2 Amino acid derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-09-10 EP disclosed