SCHEMBL29630229

SCHEMBL29630229

CCOC(=O)c1c(C)oc2c(Cl)cc(O)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MAPT P10636 2/20 0.60
CYP3A4 P08684 2/20 0.60
MEN1 O00255 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
NPC1 O15118 1/20 0.60
GAA P10253 1/20 0.60
RECQL P46063 1/20 0.60
TP53 P04637 1/20 0.55
NR1H2 P55055 1/20 0.51
NR1H3 Q13133 1/20 0.51
ALOX5 P09917 7/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 1/20 0.46
CYP2D6 P10635 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL24470866 1.00 KMT2A (0.60) KMT2AMAPTCYP3A4MEN1CYP1A2
SCHEMBL24471133 0.87 CYP3A4 (0.61) KMT2AMAPTCYP3A4MEN1CYP1A2
SCHEMBL29630200 0.87 CYP3A4 (0.61) KMT2AMAPTCYP3A4MEN1CYP1A2
SCHEMBL24484510 0.84 MEN1 (0.59) KMT2AMAPTCYP3A4MEN1CYP1A2
SCHEMBL29630277 0.84 MEN1 (0.59) KMT2AMAPTCYP3A4MEN1CYP1A2
SCHEMBL24470719 0.81 GAA (0.55) KMT2AMAPTCYP3A4MEN1CYP1A2
SCHEMBL29713119 0.81 GAA (0.55) KMT2AMAPTCYP3A4MEN1CYP1A2
SCHEMBL16453510 0.78 MAPT (0.69) KMT2AMAPTCYP3A4MEN1CYP1A2
SCHEMBL24470869 0.78 L3MBTL1 (0.56) KMT2AMAPTCYP3A4MEN1CYP1A2
SCHEMBL30569391 0.78 L3MBTL1 (0.56) KMT2AMAPTCYP3A4MEN1CYP1A2

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
EP-4259613-A1 ARYL DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS Katholieke Universiteit Leuven KU Leuven Research & Development (BE) 2023-10-18 EP disclosed
WO-2022112352-A1 HETEROCYCLE DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed
WO-2022112345-A1 ARYL DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed