SCHEMBL31589030

SCHEMBL31589030

COc1cccc(OC)c1-n1ccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.55
▸ CYP11B1 P15538 2/20 0.55
▸ CYP11B2 P19099 2/20 0.55
▸ CYP3A4 P08684 8/20 0.51
▸ CYP1A2 P05177 6/20 0.51
▸ CYP2D6 P10635 6/20 0.51
▸ CYP2C19 P33261 6/20 0.51
▸ TDP1 Q9NUW8 4/20 0.51
▸ LMNA P02545 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ CLK4 Q9HAZ1 1/20 0.50
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ CGAS Q8N884 1/20 0.43
▸ CD38 P28907 1/20 0.43
▸ MAPT P10636 2/20 0.43

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
Hydrochloric Acid SCHEMBL17583816 0.98 CYP19A1 (0.54) CYP19A1CYP11B1CYP11B2CYP3A4CYP1A2
SCHEMBL8335624 0.90 CYP19A1 (0.50) CYP19A1CYP11B1CYP11B2CYP3A4CYP1A2
SCHEMBL27677862 0.85 TLR2 (0.46) CYP19A1CYP11B1CYP11B2CYP3A4CYP1A2
SCHEMBL31589329 0.81 CYP3A4 (0.42) CYP19A1CYP11B1CYP11B2CYP3A4CYP1A2
SCHEMBL31589323 0.80 CYP11B1 (0.54) CYP19A1CYP11B1CYP11B2CYP3A4CYP1A2
SCHEMBL1886266 0.80 CYP19A1 (0.67) CYP19A1CYP11B1CYP11B2CYP3A4CYP1A2
SCHEMBL31149024 0.80 CYP19A1 (0.67) CYP19A1CYP11B1CYP11B2CYP3A4CYP1A2
SCHEMBL18263064 0.79 CYP11B1 (0.49) CYP19A1CYP11B1CYP11B2CYP3A4CYP1A2
SCHEMBL29562877 0.76 CA1 (0.48) CYP3A4TDP1LMNAKDM4EHSD17B10
SCHEMBL7649005 0.75 CYP3A4 (0.50) CYP19A1CYP11B1CYP11B2CYP3A4CYP1A2

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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