SCHEMBL3650820

SCHEMBL3650820

O=C(O)C(c1ccccc1O)C1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
HTR1E P28566 3/20 0.46
S1PR3 Q99500 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
CHRM3 P20309 3/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
ALOX5 P09917 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38

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
SCHEMBL27788695 1.00 LMNA (0.46) LMNAHTR1ES1PR3MEN1KMT2A
SCHEMBL29214387 0.98 LMNA (0.45) LMNAHTR1ES1PR3MEN1KMT2A
SCHEMBL27504527 0.83 GABRA1 (0.37) LMNAHTR1ES1PR3MEN1KMT2A
SCHEMBL6636852 0.83 GABRA1 (0.37) LMNAHTR1ES1PR3MEN1KMT2A
SCHEMBL9678056 0.81 GABRA1 (0.41) LMNAHTR1ES1PR3MEN1KMT2A
SCHEMBL14873255 0.81 KMT2A (0.46) LMNAHTR1ES1PR3MEN1KMT2A
SCHEMBL5400537 0.81 SLC6A3 (0.51)
SCHEMBL2786219 0.80 KMT2A (0.48) LMNAHTR1ES1PR3MEN1KMT2A
SCHEMBL2788659 0.80 TAS1R3 (0.45) LMNAHTR1ES1PR3MEN1KMT2A
SCHEMBL2788613 0.80 KDM4E (0.51) LMNAHTR1ES1PR3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119019241-B Synthesis method of alpha-cyclopentyl mandelic acid 深圳智微通科技有限公司 2025-02-07 CN disclosed
CN-119019241-A Synthesis method of alpha-cyclopentyl mandelic acid 深圳智微通科技有限公司 2024-11-26 CN disclosed
CN-118388328-A Method for synthesizing aldehyde ketone compound through catalyst-free photochemical decarboxylation 齐鲁工业大学(山东省科学院) 2024-07-26 CN disclosed
CN-114984001-B Use of glycopyrrolate for the preparation of a medicament for the prevention of nausea and vomiting symptoms 重庆医科大学附属第二医院 2023-06-13 CN disclosed
CN-114984001-A Use of glycopyrrolate for the manufacture of a medicament for the prevention of nausea and vomiting symptoms 重庆医科大学附属第二医院 2022-09-02 CN disclosed
CN-101796026-B Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE INC 2013-10-23 CN disclosed
CN-101796026-A Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE INC 2010-08-04 CN disclosed
EP-2197841-A2 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2010-06-23 EP disclosed
WO-2009035542-A2 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2009-03-19 WO disclosed