SCHEMBL472982

SCHEMBL472982

O=C(O)c1ccccc1CCCCCO.[KH]

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.58
SLC16A3 O15427 10/20 0.54
DHODH Q02127 1/20 0.51
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
PTPN1 P18031 1/20 0.44
BID P55957 1/20 0.44
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44
BAK1 Q16611 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL25387444 0.98 FOLH1 (0.59) FOLH1SLC16A3DHODHALDH1A1ALOX15
SCHEMBL28246094 0.98 FOLH1 (0.59) FOLH1SLC16A3DHODHALDH1A1ALOX15
SCHEMBL4907779 0.96 FOLH1 (0.61) FOLH1SLC16A3DHODHALDH1A1ALOX15
SCHEMBL14151063 0.93 FOLH1 (0.54) FOLH1SLC16A3DHODHALDH1A1ALOX15
SCHEMBL5806456 0.91 FOLH1 (0.63) FOLH1SLC16A3DHODHALDH1A1ALOX15
SCHEMBL9345842 0.91 FOLH1 (0.68) FOLH1SLC16A3DHODHALDH1A1ALOX15
SCHEMBL729909 0.89 FOLH1 (0.70) FOLH1SLC16A3DHODHALDH1A1ALOX15
SCHEMBL31474045 0.85 FOLH1 (0.70) FOLH1SLC16A3DHODHALDH1A1ALOX15
SCHEMBL10780270 0.84 FOLH1 (0.49) FOLH1SLC16A3DHODHALDH1A1TSHR
SCHEMBL11052053 0.83 BID (0.53) FOLH1SLC16A3ALOX15BIDBCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332530-A4 THE USE OF POTASSIUM 2-( - HYDROXYPENTYL) BENZOATE IN THE MANUFACTURE OF MEDICAMENTS FOR PREVENTING AND/OR TREATING SENILE DEMENTIA INST MATERIA MEDICA CAMS (CN) 2012-02-01 EP disclosed
EP-2332530-A1 THE USE OF POTASSIUM 2-( - HYDROXYPENTYL) BENZOATE IN THE MANUFACTURE OF MEDICAMENTS FOR PREVENTING AND/OR TREATING SENILE DEMENTIA INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2011-06-15 EP disclosed