SCHEMBL28404994

SCHEMBL28404994

O=Cc1cc(C(F)(F)F)ccc1P(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
KIF11 P52732 2/20 0.35
TRPV6 Q9H1D0 1/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
NPBWR1 P48145 1/20 0.33
CYP3A4 P08684 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAOB P27338 1/20 0.33
KCNK3 O14649 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL30954775 0.76 ALDH1A1 (0.49) ALDH1A1TSHRKIF11MAPTTDP1
SCHEMBL6841636 0.76 ESR1 (0.47) ALDH1A1MAPTPOLBTDP1CYP3A4
SCHEMBL28907992 0.74 KIF11 (0.46) ALDH1A1TSHRKIF11NPBWR1RAB9A
SCHEMBL29669657 0.74 KIF11 (0.46) ALDH1A1TSHRKIF11NPBWR1RAB9A
SCHEMBL705407 0.74 TDP1 (0.50) ALDH1A1TSHRTDP1CYP3A4MEN1
SCHEMBL25060874 0.72 HSP90AA1 (0.43) ALDH1A1TSHRKIF11TRPV6MAPT
SCHEMBL30954769 0.72 ALDH1A1 (0.45) ALDH1A1TSHRKIF11MAPTTDP1
SCHEMBL29141867 0.72 TAS2R14 (0.41) ALDH1A1TSHRKIF11TRPV6MAPT
SCHEMBL29141880 0.72 ALDH1A1 (0.39) ALDH1A1TSHRKIF11TRPV6MAPT
SCHEMBL27653523 0.72 ALOX5AP (0.49) ALOX5APFEN1ALDH1A1TSHRKIF11

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-111269147-B Chiral phosphine nitrogen phosphine ligand and chiral metal organic coordination complex and application thereof 浙江工业大学 2022-03-18 CN disclosed
CN-111269147-A Chiral phosphine nitrogen phosphine ligand and chiral metal organic coordination complex and application thereof 浙江工业大学 2020-06-12 CN disclosed