SCHEMBL28960451

SCHEMBL28960451

O=P(OCOCc1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ TSHR P16473 2/20 0.50
▸ PDPK1 O15530 2/20 0.41
▸ MTOR P42345 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ CETP P11597 3/20 0.38
▸ ELANE P08246 1/20 0.38
▸ ALPG P10696 1/20 0.38
▸ PTK2B Q14289 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CA2 P00918 1/20 0.37

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
SCHEMBL389123 0.84 TSHR (0.61) MEN1KMT2ATSHRPDPK1MTOR
SCHEMBL28104834 0.82 TSHR (0.59) MEN1KMT2ATSHRPDPK1MTOR
SCHEMBL29113254 0.78 L3MBTL1 (0.58) MEN1KMT2ATSHRL3MBTL1ELANE
SCHEMBL27956676 0.75 MEN1 (0.51) MEN1KMT2ATSHRALDH1A1L3MBTL1
SCHEMBL28519668 0.75 TSHR (0.50) MEN1KMT2ATSHRPDPK1MTOR
SCHEMBL223907 0.75 TSHR (0.78) TSHRALDH1A1LMNAIDO1CA2
SCHEMBL4378891 0.73 MEN1 (0.76) MEN1KMT2ATSHRALDH1A1L3MBTL1
SCHEMBL3472682 0.73 MEN1 (0.63) MEN1KMT2ATSHRALDH1A1L3MBTL1
SCHEMBL28454755 0.73 MEN1 (0.53) MEN1KMT2ATSHRALDH1A1L3MBTL1
SCHEMBL28519236 0.73 MEN1 (0.49) MEN1KMT2ATSHRALDH1A1L3MBTL1

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-112175003-B Preparation method of phenyl hydrogen phosphonate and intermediate thereof 上海医药工业研究院 2022-02-15 — — CN claimed
CN-112175003-A Preparation method of phenyl hydrogen phosphonate and intermediate thereof 上海医药工业研究院 2021-01-05 — — CN claimed
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