SCHEMBL28702159

SCHEMBL28702159

B.COc1cc(OC)cc(P(=O)(OC)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
HCRTR1 O43613 1/20 0.41
HPGD P15428 2/20 0.40
CA4 P22748 1/20 0.40
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
UTRN P46939 1/20 0.39
MAPT P10636 2/20 0.38

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
SCHEMBL28701506 0.88 L3MBTL1 (0.46) ALDH1A1L3MBTL1HTTSMN1; SMN2PKM
SCHEMBL28445431 0.87 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL28685381 0.85 PKM (0.53) ALDH1A1L3MBTL1HTTPKMNPC1
SCHEMBL31472733 0.83 PKM (0.54) ALDH1A1L3MBTL1HTTPKMNPC1
SCHEMBL332078 0.82 L3MBTL1 (0.58) ALDH1A1L3MBTL1HTTPKMMEN1
Ammonia Solution, Strong SCHEMBL28943711 0.80 L3MBTL1 (0.56) ALDH1A1L3MBTL1HTTPKMMEN1
SCHEMBL460134 0.79 MAPT (0.48) ALDH1A1HTTSMN1; SMN2PKMNPC1
SCHEMBL28702856 0.77 UTRN (0.46) ALDH1A1L3MBTL1NPC1RAB9AMEN1
SCHEMBL28702854 0.76 HPGD (0.50) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL29023907 0.76 L3MBTL1 (0.55) ALDH1A1L3MBTL1HTTPKMMEN1

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-109071578-B P-chiral phosphine ligand and application thereof in asymmetric synthesis 巴斯夫欧洲公司 2022-01-14 CN disclosed