SCHEMBL29630278

SCHEMBL29630278

COC(=O)c1c(C)oc2ccc(O)cc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.74
POLB P06746 3/20 0.74
LMNA P02545 6/20 0.61
HTT P42858 4/20 0.61
TSHR P16473 4/20 0.60
MAPT P10636 2/20 0.60
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
USP2 O75604 1/20 0.53

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
SCHEMBL5881512 1.00 GAA (0.74) GAAPOLBLMNAHTTTSHR
SCHEMBL2084303 0.89 GAA (0.63) GAAPOLBLMNAHTTTSHR
SCHEMBL18516834 0.87 GAA (0.57) GAAPOLBLMNAHTTTSHR
SCHEMBL24470667 0.86 MEN1 (0.71) GAAPOLBLMNAHTTTSHR
SCHEMBL29630155 0.86 MEN1 (0.71) GAAPOLBLMNAHTTTSHR
SCHEMBL15287154 0.84 SMN1; SMN2 (0.56) GAAPOLBLMNAHTTTSHR
SCHEMBL15020039 0.84 GAA (0.55) GAAPOLBLMNAHTTTSHR
SCHEMBL29853045 0.84 GAA (0.55) GAAPOLBLMNAHTTTSHR
SCHEMBL31485745 0.83 HTT (0.64) GAAPOLBLMNAHTTMEN1
SCHEMBL24470616 0.83 HTT (0.64) GAAPOLBLMNAHTTMEN1

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
WO-2022112352-A1 HETEROCYCLE DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed