SCHEMBL8908268

SCHEMBL8908268

COc1cccc(P(=O)(Oc2ccccc2)Oc2ccccc2)c1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 2/20 0.39
PKM P14618 1/20 0.39
SRC P12931 2/20 0.38
RAB9A P51151 1/20 0.38
HCRTR1 O43613 1/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 2/20 0.36
CA4 P22748 2/20 0.36
HPGD P15428 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
CYP1A2 P05177 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
SCHEMBL7823178 0.84 L3MBTL1 (0.47) L3MBTL1TDP1LMNAMEN1KMT2A
SCHEMBL14810055 0.79 L3MBTL1 (0.48) L3MBTL1TDP1LMNAMEN1KMT2A
SCHEMBL8994708 0.78 KMT2A (0.49) L3MBTL1MEN1KMT2AHTTCA12
SCHEMBL9441174 0.76 MEN1 (0.47) L3MBTL1MEN1KMT2AHTTSRC
SCHEMBL30523872 0.75 L3MBTL1 (0.67) L3MBTL1TDP1LMNAMEN1KMT2A
SCHEMBL14810747 0.73 MEN1 (0.47) L3MBTL1TDP1LMNAMEN1KMT2A
SCHEMBL9079781 0.72 L3MBTL1 (0.41) L3MBTL1TDP1LMNAMEN1KMT2A
SCHEMBL30598260 0.71 L3MBTL1 (0.55) L3MBTL1TDP1LMNAMEN1KMT2A
SCHEMBL3890511 0.71 L3MBTL1 (0.55) L3MBTL1TDP1LMNAMEN1KMT2A
SCHEMBL22588410 0.71 ALDH1A1 (0.57) L3MBTL1LMNAMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5600015-A USING RUTHENIUM COMPLEX OF OPTICALLY ACTIVE ATROPISOMERIC DIPHOSPHINE LIGAND AS HYDROGENATION CATALYST HOFFMANN-LA ROCHE INC. (US) 1997-02-04 US disclosed
US-5302738-A Chiral phosphines HOFFMANN-LA ROCHE INC. (US) 1994-04-12 US disclosed
US-5274125-A Chirale phosphines HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed