SCHEMBL29026306

SCHEMBL29026306

Clc1ccccc1Oc1[c]cc(OCc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
HTR1A P08908 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAOB P27338 3/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL29026332 0.83 BCHE (0.47) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL3070157 0.80 LMNA (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL29026273 0.80 MEN1 (0.48) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL29026266 0.78 RXRA (0.48) RXRARXRBCYP1A2CYP2C19RAB9A
SCHEMBL29026282 0.77 MAOB (0.50) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL7286421 0.76 MAOB (0.51) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL2321158 0.76 LMNA (0.52) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8672333 0.73 L3MBTL1 (0.60) HPGDRXRARXRBHTR1AADRA1D
SCHEMBL3047774 0.73 HPGD (0.69) HPGDRXRARXRBHTR1AADRA1D
SCHEMBL6201495 0.70 MAOB (0.51) HTR1ALMNACYP1A2PTGS1SLC6A2

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
CN-116348450-A Compounds, compositions and methods for histone lysine demethylase inhibition 菲布罗根有限公司 2023-06-27 CN disclosed