SCHEMBL9939655

SCHEMBL9939655

C[C@@H](N)C(=O)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.53
ATM Q13315 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
SLC1A3 P43003 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ANPEP P15144 1/20 0.41
LAP3 P28838 1/20 0.41
MAPT P10636 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
NPC1 O15118 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
SCHEMBL133568 1.00 ELANE (0.53) ELANEATML3MBTL1SLC1A3ALDH1A1
SCHEMBL285949 1.00 ELANE (0.53) ELANEATML3MBTL1SLC1A3ALDH1A1
SCHEMBL28176721 0.98 ELANE (0.51) ELANEATML3MBTL1SLC1A3ALDH1A1
SCHEMBL28281300 0.98 ELANE (0.51) ELANEATML3MBTL1SLC1A3ALDH1A1
SCHEMBL28299146 0.98 ELANE (0.51) ELANEATML3MBTL1SLC1A3ALDH1A1
Hydrochloric Acid SCHEMBL10445713 0.98 ELANE (0.51) ELANEATML3MBTL1SLC1A3ALDH1A1
Ammonia Solution, Strong SCHEMBL9613925 0.98 ELANE (0.51) ELANEATML3MBTL1SLC1A3ALDH1A1
Ammonia Solution, Strong SCHEMBL2037585 0.98 ELANE (0.51) ELANEATML3MBTL1SLC1A3ALDH1A1
Hydrochloric Acid SCHEMBL19834657 0.98 ELANE (0.51) ELANEATML3MBTL1SLC1A3ALDH1A1
Malonic Acid SCHEMBL9222807 0.91 ELANE (0.46) ELANEATML3MBTL1SLC1A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849034-A EGFR inhibitors and methods of use thereof 达纳-法伯癌症研究所公司 2018-03-27 CN disclosed
WO-2014154871-A1 DYEING PROCESS USING AN IRIDOID COMPOUND AND DEVICES FOR THE SAME L'OREAL (FR) 2014-10-02 WO disclosed
CN-103804206-A Synthetic process of dapoxetine hydrochloride XU SHIMING 2014-05-21 CN disclosed
CN-102229538-B Method for synthesizing dapoxetine UNIV CENTRAL SOUTH 2013-11-13 CN disclosed
EP-2651902-A2 PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS Reata Pharmaceuticals, Inc. (US) 2013-10-23 EP disclosed
WO-2013045703-A1 DYE COMPOSITION COMPRISING A NON-GLYCOSYL IRIDOID COMPOUND AND A PARTICULAR ALDEHYDE OR IMINE, DYEING PROCESS AND DEVICE THEREFOR L'OREAL (FR) 2013-04-04 WO disclosed
WO-2013045704-A2 DYE COMPOSITION COMPRISING A GLYCOSYL IRIDOID COMPOUND AND A PARTICULAR ALDEHYDE OR IMINE, DYEING PROCESS AND DEVICES THEREFOR L'OREAL (FR) 2013-04-04 WO disclosed
WO-2013045702-A2 DYE COMPOSITION COMPRISING A NON-GLYCOSYL IRIDOID COMPOUND AND A SPECIFIC NUCLEOPHILE OR AN AMINO OR THIO POLYMER, DYEING PROCESS, AND DEVICE THEREFOR L'OREAL (FR) 2013-04-04 WO disclosed
CN-101186612-B Pyrroline derivative capable of inhibiting cell to release tumor necrotic factor and its preparation and application TIANJIN HEMEI BIOLOG TECHNOLOGY CO LTD 2012-10-03 CN disclosed
WO-2012083306-A2 PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS REATA PHARMACEUTICALS, INC. (US) 2012-06-21 WO disclosed
CN-102229538-A Method for synthesizing dapoxetine UNIV CENTRAL SOUTH 2011-11-02 CN disclosed
CN-101186612-A Pyrroline derivative capable of inhibiting cell to release tumor necrotic factor and its preparation and application TIANJIN HEMEI BIOLOG TECHNOLOG (CN) 2008-05-28 CN disclosed
CN-1328277-C Substituted pyrimidinone and pyridinone compounds and their use AMGEN INC (US) 2007-07-25 CN disclosed
CN-1284945-A Substituted pyriding and pyridazine compounds and their pharmaceutical use AMGEN INC (US) 2001-02-21 CN disclosed
CN-1246858-A Substituted pyrimidine compounds and their use AMGEN INC (US) 2000-03-08 CN disclosed
CN-1246857-A Substituted pyrimidinone and pyridinone compounds and their use AMGEN INC (US) 2000-03-08 CN disclosed