SCHEMBL31070293

SCHEMBL31070293

COC(=O)c1ccc(OC)c(Oc2ccc(C)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
KMT2A Q03164 3/20 0.58
TDP1 Q9NUW8 1/20 0.56
CTNNB1 P35222 1/20 0.54
WNT3A P56704 1/20 0.54
ALDH1A1 P00352 4/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 3/20 0.51
HPGD P15428 3/20 0.51
TTR P02766 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.49
NPC1 O15118 1/20 0.49
AHR P35869 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP2C9 P11712 2/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL31070288 0.94 KMT2A (0.62) MAPTKMT2ATDP1CTNNB1WNT3A
SCHEMBL26563278 0.86 TDP1 (0.58) MAPTKMT2ATDP1ALDH1A1USP2
SCHEMBL7151593 0.86 TTR (0.68) MAPTKMT2AALDH1A1USP2LMNA
SCHEMBL5193324 0.85 TDP1 (0.56) MAPTKMT2ATDP1ALDH1A1USP2
SCHEMBL29826422 0.85 TDP1 (0.56) MAPTKMT2ATDP1ALDH1A1USP2
SCHEMBL21628782 0.84 TDP1 (0.54) MAPTKMT2ATDP1ALDH1A1USP2
SCHEMBL26937008 0.83 TDP1 (0.53) MAPTKMT2ATDP1ALDH1A1LMNA
Veratric Acid Methyl Ester SCHEMBL2050732 0.82 MAPT (0.86) MAPTKMT2AALDH1A1LMNACA1
Veratric Acid Methyl Ester SCHEMBL29573244 0.82 MAPT (0.86) MAPTKMT2AALDH1A1LMNACA1
SCHEMBL26936666 0.81 KMT2A (0.61) MAPTKMT2AALDH1A1USP2LMNA

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-118359503-A Synthesis method of copper-catalyzed diaryl ether promoted by visible light 新疆大学 2024-07-19 CN disclosed