SCHEMBL29906409

SCHEMBL29906409

CC1=C(Cc2ccc(C)cc2)C(=O)c2ccccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.60
MAPT P10636 7/20 0.60
ALDH1A1 P00352 6/20 0.60
LMNA P02545 6/20 0.60
NPSR1 Q6W5P4 5/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
HPGD P15428 4/20 0.60
HTT P42858 4/20 0.60
TDP1 Q9NUW8 4/20 0.60
PKM P14618 4/20 0.60
ALOX12 P18054 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
STAT3 P40763 1/20 0.60
KCNH2 Q12809 1/20 0.60
KDM4E B2RXH2 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
APAF1 O14727 1/20 0.49
MITF O75030 1/20 0.49
HKDC1 Q2TB90 4/20 0.47

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
SCHEMBL12761935 1.00 TBXAS1 (0.60) TBXAS1MAPTALDH1A1LMNANPSR1
SCHEMBL7912380 0.89 TBXAS1 (0.69) TBXAS1MAPTALDH1A1LMNANPSR1
SCHEMBL12833639 0.88 TBXAS1 (0.59) TBXAS1MAPTALDH1A1LMNANPSR1
SCHEMBL12761938 0.88 TBXAS1 (0.59) TBXAS1MAPTALDH1A1LMNANPSR1
SCHEMBL17988773 0.86 MAOA (0.61) TBXAS1MAPTALDH1A1LMNANPSR1
SCHEMBL12833640 0.86 MAPT (0.62) TBXAS1MAPTALDH1A1LMNANPSR1
SCHEMBL17988772 0.86 MAOA (0.61) TBXAS1MAPTALDH1A1LMNANPSR1
SCHEMBL12834662 0.86 TBXAS1 (0.57) TBXAS1MAPTALDH1A1LMNANPSR1
SCHEMBL12833647 0.86 ALDH1A1 (0.62) TBXAS1MAPTALDH1A1LMNANPSR1
SCHEMBL12833642 0.86 TBXAS1 (0.57) TBXAS1MAPTALDH1A1LMNANPSR1

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-2022184904-A1 PHOTOREDOX RADICAL BENZYLATION PROCESS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-09-09 WO disclosed