SCHEMBL8570425

SCHEMBL8570425

O=C(CCC1(C(=O)O)CCCC1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.43
HTR2A P28223 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.42
IDO1 P14902 1/20 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
SCHEMBL8779517 0.83 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1MAPTMEN1
SCHEMBL8571445 0.80 ALDH1A1 (0.43) RAB9AALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL10807610 0.80 DPP8 (0.48) RAB9AALDH1A1MAPTHTR2ACYP2C19
SCHEMBL8568639 0.78 ALDH1A1 (0.44) RAB9AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL8385774 0.77 RAB9A (0.62) RAB9AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL23956955 0.77 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1MAPTMEN1
SCHEMBL15388876 0.77 RAB9A (0.61) RAB9AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL27675512 0.76 RAB9A (0.61) RAB9AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL12814849 0.76 RAB9A (0.60) RAB9AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL9654481 0.75 RAB9A (0.56) RAB9AALDH1A1MAPK1L3MBTL1MAPT

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