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Sugi Predict / Compounds / SCHEMBL9680800

SCHEMBL9680800

SCHEMBL9680800

COc1ccc(C2=CC3=CC4=NC(=CC5=NC(=CC6=NC(=C(c7ccc(OC)cc7OC)C2=N3)C(c2ccc(OC)cc2OC)=C6c2ccc(OC)cc2OC)C=C5)C=C4)c(OC)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 2/20 0.32
▸ CYP1B1 Q16678 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2E1 P05181 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C8 P10632 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP4B1 P13584 1/20 0.32
▸ CYP2B6 P20813 1/20 0.32
▸ CYP3A5 P20815 1/20 0.32
▸ CYP2A7 P20853 1/20 0.32
▸ CYP3A7 P24462 1/20 0.32
▸ CYP2F1 P24903 1/20 0.32
▸ CYP2C18 P33260 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CYP2J2 P51589 1/20 0.32
▸ CYP4F2 P78329 1/20 0.32
▸ CYP4F8 P98187 1/20 0.32

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
SCHEMBL9681372 0.89 — —
SCHEMBL480414 0.78 — —
SCHEMBL9679835 0.78 — —
SCHEMBL8038380 0.76 KDM4E (0.33) MAPK1
SCHEMBL8986470 0.75 KDM4E (0.33) MAPK1
SCHEMBL9679867 0.74 — —
SCHEMBL29069277 0.74 — —
SCHEMBL9679754 0.74 — —
SCHEMBL28868083 0.74 — —
SCHEMBL28868084 0.74 ESR1 (0.30) —

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
US-5130493-A Oxidation of o-cresol in the presence of a chelate compound of iron and manganese with mesotetraarylporphine BAYER AKTIENGESELLSCHAFT (DE) 1992-07-14 — — US disclosed
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