SCHEMBL9709027

SCHEMBL9709027

COc1cc2c(c(OC)c1OC)C(C)=CC(C)(C)N2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.48
▸ KDM4E B2RXH2 7/20 0.48
▸ MAPT P10636 4/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ HPGD P15428 5/20 0.45
▸ HSD17B10 Q99714 4/20 0.45
▸ LMNA P02545 2/20 0.45
▸ PGR P06401 9/20 0.43
▸ TDP1 Q9NUW8 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ NR3C1 P04150 5/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ALOX15 P16050 1/20 0.39

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
SCHEMBL3523036 0.79 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7073387 0.70 KDM4E (0.71) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL5034828 0.69 PGR (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL12417556 0.69 KDM4E (0.54) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL30973139 0.68 KDM4E (0.83) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4207661 0.68 PGR (0.53) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL4704892 0.66 PGR (0.59) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL13747310 0.66 PGR (0.47) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL6470321 0.66 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1394706 0.66 ALDH1A1 (0.97) ALDH1A1KDM4EMAPTMEN1KMT2A

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
WO-2020263164-A1 COMPOUNDS TARGETING DUAL G-QUADRUPLEX DNA AND STAT3 SABOURI NASIM (SE) 2020-12-30 — — WO disclosed
EP-0515684-A1 INHIBITOR OF DENATURED LDL FORMATION Chugai Seiyaku Kabushiki Kaisha (JP) 1992-12-02 — — EP disclosed
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