SCHEMBL8637826

SCHEMBL8637826

COc1cc(C=CC(=O)O)cc(OC)c1OCCO

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.69
ALDH1A1 P00352 7/20 0.69
HPGD P15428 4/20 0.69
HSD17B10 Q99714 2/20 0.69
HTR1A P08908 1/20 0.69
HTR2C P28335 1/20 0.69
PKM P14618 2/20 0.60
PTGS1 P23219 1/20 0.60
PTGS2 P35354 1/20 0.60
GAA P10253 3/20 0.58
KMT2A Q03164 1/20 0.58
HTT P42858 3/20 0.57
TNFRSF1A P19438 2/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TUBB1 Q9H4B7 1/20 0.55
SNCA P37840 2/20 0.52
CA12 O43570 1/20 0.52

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
SCHEMBL8637822 1.00 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL13168898 0.92 KDM4E (0.76) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL11682728 0.92 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL13168900 0.91 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL14366679 0.90 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL2743979 0.90 CYP1A2 (0.59) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL13168902 0.90 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL13168904 0.90 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL2743978 0.90 CYP1A2 (0.59) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL11226250 0.88 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115044022-B Fat and fat-aromatic copolyester capable of being rapidly recycled in closed loop under mild condition, and preparation method, application and recycling method thereof 四川大学 2023-06-06 CN disclosed
CN-115044022-A Fat and fat-aromatic copolyester capable of being rapidly recycled in closed loop under mild condition, and preparation method, application and recycling method thereof 四川大学 2022-09-13 CN disclosed
EP-0855387-A1 2-ACYLAMINOBENZAMIDE DERIVATIVES AND PREVENTIVE AND REMEDY FOR DISEASES CAUSED BY THE SUPERMULTIPLICATION OF VASCULAR INTIMAL CELLS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 EP disclosed