SCHEMBL31589323

SCHEMBL31589323

COc1cc(OC)c(-n2ccnc2)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 3/20 0.54
▸ CYP11B2 P19099 3/20 0.54
▸ CYP19A1 P11511 2/20 0.54
▸ CYP1A2 P05177 5/20 0.43
▸ CYP3A4 P08684 5/20 0.43
▸ CYP2D6 P10635 5/20 0.43
▸ CYP2C19 P33261 5/20 0.43
▸ LMNA P02545 4/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ CGAS Q8N884 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ TDP1 Q9NUW8 5/20 0.42
▸ MAPT P10636 3/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ HPGD P15428 2/20 0.41

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
SCHEMBL18263064 0.84 CYP11B1 (0.49) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL31589030 0.80 CYP19A1 (0.55) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL17583816 0.79 CYP19A1 (0.54) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL28004650 0.78 CYP19A1 (0.66) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL31138008 0.78 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL14483736 0.78 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL20815982 0.76 CYP11B1 (0.57) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL28226949 0.75 CYP1A2 (0.42) CYP19A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1239794 0.74 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL20310835 0.71 CYP19A1 (0.47) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4

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-120040505-A Phosphorus phenol ligand, phosphorus phenol complex, preparation method and application thereof, and ethylene polymerization method 南开大学 2025-05-27 — — CN claimed
CN-120040505-A Phosphorus phenol ligand, phosphorus phenol complex, preparation method and application thereof, and ethylene polymerization method 南开大学 2025-05-27 — — CN disclosed
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