SCHEMBL28313772

SCHEMBL28313772

COc1ccc(C2c3ccccc3Oc3ccccc32)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.48
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 4/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 1/20 0.48
CYP3A4 P08684 2/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2E1 P05181 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP4B1 P13584 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP3A5 P20815 1/20 0.46
CYP2A7 P20853 1/20 0.46
CYP3A7 P24462 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
SCHEMBL4114773 0.83 ALDH1A1 (0.48) NR3C1ALDH1A1MEN1KMT2AMAPT
SCHEMBL28313771 0.78 CYP3A4 (0.46) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL29562307 0.77 GAA (0.53) NR3C1ALDH1A1MEN1KMT2AMAPT
SCHEMBL707761 0.77 MAPT (0.53) NR3C1MEN1KMT2AMAPTGAA
SCHEMBL15237264 0.76 GAA (0.56) NR3C1ALDH1A1MEN1KMT2AMAPT
SCHEMBL11736489 0.76 MAOA (0.61) NR3C1ALDH1A1MEN1KMT2AMAPT
SCHEMBL21625552 0.74 CYP1A2 (0.50) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL29563340 0.74 MAPT (0.46) NR3C1ALDH1A1MEN1KMT2AMAPT
SCHEMBL11839757 0.73 MAOA (0.61) NR3C1ALDH1A1MEN1KMT2AMAPT
SCHEMBL29562543 0.73 NPSR1 (0.54) NR3C1ALDH1A1MEN1KMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110172054-B Synthesis method of 9H-oxygen/thioxanthene compound 广东工业大学 2023-02-03 CN disclosed
CN-110172054-A A kind of synthetic method of 9H- oxygen/thia anthracene compound 广东工业大学 2019-08-27 CN disclosed