SCHEMBL28694282

SCHEMBL28694282

O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(B(O)O)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.65
▸ CA1 P00915 2/20 0.65
▸ MGLL Q99685 2/20 0.65
▸ TRPV1 Q8NER1 3/20 0.56
▸ CA4 P22748 2/20 0.50
▸ CA5A P35218 2/20 0.50
▸ ENPP2 Q13822 2/20 0.50
▸ CA6 P23280 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ CA5B Q9Y2D0 1/20 0.50
▸ LMNA P02545 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ESR1 P03372 1/20 0.39
▸ P4HB P07237 1/20 0.39

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
SCHEMBL18815955 0.96 CA2 (0.58) CA2CA1MGLLTRPV1CA4
SCHEMBL9927206 0.82 LMNA (0.56) CA2CA4CA5ACA14LMNA
SCHEMBL5444731 0.82 LMNA (0.56) CA2CA4CA5ACA14LMNA
SCHEMBL4774848 0.82 LMNA (0.56) CA2CA4CA5ACA14LMNA
SCHEMBL22174892 0.82 LMNA (0.56) CA2CA4CA5ACA14LMNA
SCHEMBL9001586 0.80 LMNA (0.54) CA2CA4CA5ACA14LMNA
Biphenylboronic Acid SCHEMBL129728 0.80 CA2 (1.00) CA2CA1MGLLTRPV1CA4
SCHEMBL12860012 0.80 CA2 (1.00) CA2CA1MGLLTRPV1CA4
SCHEMBL9001620 0.80 LMNA (0.54) CA2CA4CA5ACA14LMNA
SCHEMBL19448976 0.80 LMNA (0.54) CA2CA4CA5ACA14LMNA

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
CN-113845517-A Phenanthro five-membered heterocyclic organic electroluminescent material and application and device thereof 湖北尚赛光电材料有限公司 2021-12-28 — — CN disclosed
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