SCHEMBL8333261

SCHEMBL8333261

Nc1cc(=O)oc2cc(O)ccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
KDM4E B2RXH2 3/20 0.70
KMT2A Q03164 1/20 0.70
HSD17B3 P37058 7/20 0.66
CA12 O43570 6/20 0.66
CA9 Q16790 6/20 0.66
AKR1B1 P15121 3/20 0.66
MAOB P27338 2/20 0.66
LMNA P02545 2/20 0.66
HSD17B10 Q99714 2/20 0.66
GAA P10253 2/20 0.66
CYP1A2 P05177 1/20 0.66
GLA P06280 1/20 0.66
CYP2C9 P11712 1/20 0.66
HPGD P15428 1/20 0.66
UGT1A1 P22309 1/20 0.66
CASP1 P29466 1/20 0.66
KDR P35968 1/20 0.66
CASP7 P55210 1/20 0.66
MCL1 Q07820 1/20 0.66

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
SCHEMBL27903487 0.87 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AHSD17B3CA12
SCHEMBL958685 0.82 ALDH1A1 (1.00) ALDH1A1KDM4EKMT2AHSD17B3CA12
SCHEMBL14424515 0.82 CA12 (0.75) ALDH1A1KDM4EKMT2AHSD17B3CA12
SCHEMBL29419327 0.82 ALDH1A1 (1.00) ALDH1A1KDM4EKMT2AHSD17B3CA12
Water SCHEMBL11848480 0.81 ALDH1A1 (0.96) ALDH1A1KDM4EKMT2AHSD17B3CA12
SCHEMBL3549905 0.79 KDM4E (0.68) ALDH1A1KDM4EKMT2AHSD17B3CA12
SCHEMBL169915 0.79 ALDH1A1 (0.68) ALDH1A1KDM4EKMT2AHSD17B3CA12
Hymecromone SCHEMBL2357040 0.79 HSD17B3 (1.00) ALDH1A1KDM4EKMT2AHSD17B3CA12
SCHEMBL10790823 0.79 ALDH1A1 (0.68) ALDH1A1KDM4EKMT2AHSD17B3CA12
SCHEMBL10793869 0.79 ALDH1A1 (0.68) ALDH1A1KDM4EKMT2AHSD17B3CA12

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-117164595-A Coumarin derivative, preparation method thereof and application of coumarin derivative as plant pathogenic fungi bacteriostat 新疆农业大学 2023-12-05 CN claimed
CN-102846598-A Application of coumarin in preparing formation inhibitors of advanced glycation end products (AGEs) GUANGZHOU KANGCHENG PHARMACEUTICAL RES CO LTD 2013-01-02 CN claimed
JP-11092493-A None JP disclosed
CN-118724856-A Benzo-alpha-pyrone derivative and preparation method and application thereof 新疆农业大学 2024-10-01 CN disclosed
CN-117720496-A Coumarin compound and preparation method and application thereof 新疆农业大学 2024-03-19 CN disclosed
CN-117164595-A Coumarin derivative, preparation method thereof and application of coumarin derivative as plant pathogenic fungi bacteriostat 新疆农业大学 2023-12-05 CN disclosed
EP-2910644-A1 Method for the diagnosis of neuronal ceroid lipofuscinoses Steinbeis-Transferzentrum für Biopolymeranalytik und Biomolekül-Massenspektrometrie (DE) 2015-08-26 EP disclosed
CN-102846598-A Application of coumarin in preparing formation inhibitors of advanced glycation end products (AGEs) GUANGZHOU KANGCHENG PHARMACEUTICAL RES CO LTD 2013-01-02 CN disclosed
JP-H1192493-A NEW AROMATIC DERIVATIVE SUBSTITUTED BY RIBOSE, ITS PRODUCTION AND USE THEREOF AS MEDICINAL AGENT HOECHST MARION ROUSSEL 1999-04-06 JP disclosed