SCHEMBL8725706

SCHEMBL8725706

O=P(c1ccccc1)(c1ccccc1)c1ccccc1C[N]O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 6/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ CFTR P13569 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ APOBEC3A P31941 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36

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
SCHEMBL15698186 0.79 ALDH1A1 (0.47) POLBALDH1A1HTTKMT2AMEN1
SCHEMBL7343029 0.75 LMNA (0.43) POLBALDH1A1HTTKMT2AMEN1
SCHEMBL18983310 0.74 HTT (0.41) POLBALDH1A1HTTKMT2AMEN1
SCHEMBL4762963 0.73 POLB (0.52) POLBALDH1A1HTTKMT2AMEN1
SCHEMBL7372058 0.69 ALDH1A1 (0.38) POLBALDH1A1HTTKMT2AMEN1
SCHEMBL5318428 0.69 LIPG (0.45) KMT2AMEN1NPSR1LMNA
SCHEMBL29539230 0.69 CYP3A4 (0.56) POLBALDH1A1HTTKMT2AMEN1
SCHEMBL12317648 0.69 CYP3A4 (0.56) POLBALDH1A1HTTKMT2AMEN1
Triphenylphosphine Oxide SCHEMBL8431247 0.68 CA2 (0.63) POLBALDH1A1HTTKMT2AMEN1
Triphenylphosphine Oxide SCHEMBL8431251 0.68 CA2 (0.63) POLBALDH1A1HTTKMT2AMEN1

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-5830915-A ORAL DISEASES; SKIN DISORDERS; ANTIINFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1998-11-03 — — US disclosed
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