SCHEMBL9294262

SCHEMBL9294262

CCOC(=O)CC(C[N+](=O)[O-])c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.50
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
F10 P00742 4/20 0.45
MMP8 P22894 1/20 0.41
CYP3A4 P08684 1/20 0.41
CPA1 P15085 3/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
PRSS1 P07477 1/20 0.40

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
SCHEMBL1269548 0.87 F10 (0.44) F2ALDH1A1KDM4ELMNAMAPT
SCHEMBL20475361 0.86 MAPT (0.46) F2ALDH1A1KDM4ELMNAMAPT
SCHEMBL1269176 0.86 MAPT (0.46) F2ALDH1A1KDM4ELMNAMAPT
SCHEMBL482069 0.86 MAPT (0.46) F2ALDH1A1KDM4ELMNAMAPT
SCHEMBL657923 0.86 MAPT (0.46) F2ALDH1A1KDM4ELMNAMAPT
SCHEMBL698333 0.85 ALDH1A1 (0.51) ALDH1A1MAPTCYP3A4CPA1NPC1
SCHEMBL29921355 0.85 ALDH1A1 (0.51) ALDH1A1MAPTCYP3A4CPA1NPC1
SCHEMBL31115525 0.85 F2 (0.47) F2ALDH1A1KDM4ELMNAMAPT
SCHEMBL1269160 0.85 ALOX15 (0.46) F2ALDH1A1KDM4ELMNAMAPT
SCHEMBL232194 0.85 F2 (0.59) F2ALDH1A1TSHRF10MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118530130-A Preparation method of henibut 杭州国瑞生物科技有限公司 2024-08-23 CN disclosed
CN-110407730-B Pyrrolidone herbicides FMC 公司 2023-09-08 CN disclosed
CN-111393312-A Preparation method for synthesizing 4-amino-3-phenylbutyric acid hydrochloride by one-pot method and product prepared by same 福建科宏生物工程股份有限公司 2020-07-10 CN disclosed
EP-0436334-B1 3-Aminopiperidine derivatives and related nitrogen containing heterocycles PFIZER (US) 1994-12-07 EP disclosed
US-5332817-A 3-aminopiperidine derivatives and related nitrogen containing heterocycles PFIZER INC. (US) 1994-07-26 US disclosed
US-5232929-A 3-aminopiperidine derivatives and related nitrogen containing heterocycles and pharmaceutical compositions and use PFIZER INC. (US) 1993-08-03 US disclosed
WO-1991009844-A1 SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1991-07-11 WO disclosed
EP-0436334-A2 3-Aminopiperidine derivatives and related nitrogen containing heterocycles PFIZER INC. (US) 1991-07-10 EP disclosed