SCHEMBL7212732

SCHEMBL7212732

COc1ccc(P(=O)(c2ccccc2)c2ccccc2)c(-c2c(P(=O)(c3ccccc3)c3ccccc3)ccc(OC)c2OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 4/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 4/20 0.42
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 4/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 2/20 0.37
USP2 O75604 1/20 0.37
DUSP3 P51452 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ACHE P22303 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HDAC4 P56524 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
SCHEMBL8994715 0.84 KMT2A (0.49) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7615988 0.82 KMT2A (0.50) KMT2ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL2211499 0.82 ALDH1A1 (0.41) KMT2AALDH1A1POLBMEN1HTT
SCHEMBL4445330 0.82 KMT2A (0.50) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5715738 0.79 KMT2A (0.51) KMT2AALDH1A1POLBMEN1HTT
SCHEMBL9226868 0.77 MAPT (0.63) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL14259711 0.77 KMT2A (0.60) KMT2ASMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL14754995 0.77 KMT2A (0.62) KMT2AALDH1A1POLBMEN1HTT
SCHEMBL6130227 0.75 KMT2A (0.47) KMT2ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL5572022 0.74 KMT2A (0.50) KMT2ASMN1; SMN2RAB9AALDH1A1POLB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288280-B1 HEATING COMPOUND FOR RACEMIZATION ATROPISOMERIC BIS(PHOSPHINE OXIDE) COMPOUNDS HOFFMANN-LA ROCHE INC. 2001-09-11 US claimed
EP-1067133-B1 Process for the racemization of atropisomeric bis (phosphine oxide) compounds HOFFMANN LA ROCHE (CH) 2003-09-17 EP disclosed
EP-0926152-B1 Process for the manufacture of bis(phosphine oxide)-and bis(phosphonate)-compounds HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
EP-1067133-A1 Process for the racemization of atropisomeric bis (phosphine oxide) compounds F. HOFFMANN-LA ROCHE AG (CH) 2001-01-10 EP disclosed
US-6162929-A Process for the manufacture of bisphosphine oxide and bisphosphonate compounds HOFFMANN-LA ROCHE INC. (US) 2000-12-19 US disclosed
EP-0926152-A1 Process for the manufacture of bis(phosphine oxide)-and bis(phosphonate)-compounds F. HOFFMANN-LA ROCHE AG (CH) 1999-06-30 EP disclosed
US-5488172-A Chiral phosphorus compounds HOFFMANN-LA ROCHE INC. (US) 1996-01-30 US disclosed