SCHEMBL7212940

SCHEMBL7212940

COc1cccc(P(=O)(c2ccc(C)cc2)c2ccc(C)cc2)c1-c1c(OC)cccc1P(=O)(c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
KMT2A Q03164 3/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
TOP1 P11387 1/20 0.38
HTT P42858 3/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
APAF1 O14727 1/20 0.37
MITF O75030 1/20 0.37
TSHR P16473 1/20 0.37
TNKS O95271 2/20 0.37
TNKS2 Q9H2K2 2/20 0.37
PARP1 P09874 1/20 0.37
POLB P06746 2/20 0.36
NFE2L2 Q16236 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35

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
SCHEMBL9441197 0.87 MAPT (0.43) KMT2ARAB9AMEN1TOP1HTT
SCHEMBL5715738 0.86 KMT2A (0.51) HPGDKMT2AMEN1TOP1HTT
SCHEMBL9177262 0.84 KMT2A (0.43) KMT2AMEN1HTTLMNAALDH1A1
SCHEMBL8994755 0.84 HPGD (0.39) HPGDKMT2ARAB9AMEN1HTT
SCHEMBL23658969 0.83 KMT2A (0.53) HPGDKMT2ARAB9AMEN1HTT
SCHEMBL25798781 0.83 KMT2A (0.53) HPGDKMT2ARAB9AMEN1HTT
SCHEMBL25798784 0.83 KMT2A (0.53) HPGDKMT2ARAB9AMEN1HTT
SCHEMBL9177685 0.83 KMT2A (0.36) KMT2AMEN1TOP1HTTLMNA
SCHEMBL29516997 0.81 TNKS (0.43) HPGDKMT2ARAB9AMEN1LMNA
SCHEMBL9057389 0.79 HPGD (0.43) HPGDKMT2AMEN1HTTLMNA

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 5 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-1067133-A1 Process for the racemization of atropisomeric bis (phosphine oxide) compounds F. HOFFMANN-LA ROCHE AG (CH) 2001-01-10 EP disclosed
US-5488172-A Chiral phosphorus compounds HOFFMANN-LA ROCHE INC. (US) 1996-01-30 US disclosed
US-5302738-A Chiral phosphines HOFFMANN-LA ROCHE INC. (US) 1994-04-12 US disclosed