SCHEMBL8568639

SCHEMBL8568639

CC(=O)C1(CCC(=O)OCc2ccc([N+](=O)[O-])cc2)CCCCC1=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.41
HTR2A P28223 1/20 0.41
GAA P10253 1/20 0.41
MAOB P27338 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL8569113 0.85 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL8570425 0.78 RAB9A (0.49) ALDH1A1L3MBTL1MAPK1RAB9AMAPT
SCHEMBL8572306 0.76 PARP1 (0.36) ALDH1A1GAA
SCHEMBL28374567 0.72 BCL9 (0.63) ALDH1A1L3MBTL1MAPK1RAB9AMAPT
SCHEMBL15388876 0.72 RAB9A (0.61) ALDH1A1L3MBTL1MAPK1RAB9AMAPT
SCHEMBL8566451 0.72 FABP7 (0.41) ALDH1A1MAPT
SCHEMBL12814849 0.71 RAB9A (0.60) ALDH1A1L3MBTL1MAPK1RAB9AMAPT
SCHEMBL8830793 0.71 TACR1 (0.41) ALDH1A1RAB9AMAPTPOLB
SCHEMBL8565163 0.70 TP53 (0.30)
SCHEMBL17775400 0.70 PTPN1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35865-E Preparation of glutaric acid derivatives PFIZER INC. (US) 1998-07-28 US disclosed
US-5714628-A CARBOXYLATION A CYCLOHEXANONES TO A CYCLOPENTANECARBOXYLIC ACIDS WITH HYDROGEN PEROXIDE PFIZER, INC. (US) 1998-02-03 US disclosed
EP-0391673-B2 Preparation of glutaric acid derivatives PFIZER LTD (GB) 1997-04-02 EP disclosed
US-5166406-A Peroxidation of cyclohexanone derivatives PFIZER INC. (US) 1992-11-24 US disclosed
EP-0391673-A1 Preparation of glutaric acid derivatives Pfizer Limited (GB) 1990-10-10 EP disclosed