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Pentachlorophenol

Pentachlorophenol

SCHEMBL7643300

O=C(O)C(O)(C(O)P(=O)(O)O)P(=O)(O)O.Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[NaH]

nearest known ligand 0.32

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ CYP3A4 P08684 1/20 0.30

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
Phosphoric Acid SCHEMBL5917774 0.80 KDM4E (0.33) TSHR
Alcohol SCHEMBL11401577 0.74 FDPS (0.33) LMNA
SCHEMBL6518484 0.71 PGD (0.34) TSHR
SCHEMBL5904251 0.70 FDPS (0.32) —
Cyclohexylamine SCHEMBL16059711 0.68 MMP8 (0.40) ALDH1A1
Pentachlorophenol SCHEMBL6763844 0.65 TSHR (0.67) TSHRMEN1ALDH1A1LMNAMAPT
Phosphoric Acid SCHEMBL7046329 0.63 TSHR (0.62) TSHRMEN1ALDH1A1LMNAMAPT
SCHEMBL11051649 0.63 PGD (0.31) —
SCHEMBL2202444 0.63 CPT2 (0.40) LMNA
SCHEMBL458686 0.63 PGK1 (0.33) TSHRLMNA

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
WO-2002009723-A2 AMMONIUM SALTS OF HEMOGLOBIN ALLOSTERIC EFFECTORS, AND USES THEREOF GMP COMPANIES, INC. (US) 2002-02-07 — — WO disclosed