SCHEMBL23677754

SCHEMBL23677754

COC1C=CC(C(=O)c2ccccc2O)=C(O)C1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
TSHR P16473 2/20 0.44
HPGD P15428 5/20 0.43
CYP2C19 P33261 3/20 0.43
ALOX15 P16050 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
PGR P06401 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
AR P10275 1/20 0.43
CHRM1 P11229 1/20 0.43
TBXA2R P21731 1/20 0.43
SLC6A2 P23975 1/20 0.43
ADRA1A P35348 1/20 0.43
HIF1A Q16665 1/20 0.43
LIG1 P18858 1/20 0.39
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CA12 O43570 1/20 0.37

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
SCHEMBL29044405 0.70 SPR (0.38) LMNATSHRHPGDCYP2C19ALOX15
2,2'-Dihydroxybenzphenone SCHEMBL18422 0.67 HPGD (0.67) LMNATSHRHPGDCYP2C19ALOX15
2,2'-Dihydroxybenzphenone SCHEMBL29572496 0.67 HPGD (0.67) LMNATSHRHPGDCYP2C19ALOX15
SCHEMBL9468166 0.66 LIG1 (0.40) LMNATSHRHPGDCYP2C19ALOX15
2,2'-Dihydroxybenzphenone SCHEMBL11145317 0.65 LIG1 (0.64) LMNATSHRHPGDCYP2C19ALOX15
SCHEMBL455832 0.65 LIG1 (0.64) LMNATSHRHPGDCYP2C19ALOX15
2,2'-Dihydroxybenzphenone SCHEMBL6652370 0.65 LIG1 (0.64) LMNATSHRHPGDCYP2C19ALOX15
SCHEMBL4060271 0.64 LMNA (0.62) LMNATSHRHPGDCYP2C19ALOX15
SCHEMBL7061561 0.64 LMNA (0.53) LMNATSHRHPGDCYP2C19ALOX15
SCHEMBL27485335 0.63 LIG1 (0.56) LMNAHPGDCYP2C19CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3398614-B1 AGENT FOR PREVENTING AND/OR TREATING ALZHEIMER'S DISEASE UNIV KYOTO (JP) 2021-07-28 EP disclosed