SCHEMBL9767561

SCHEMBL9767561

O=P(Oc1ccccc1)(Oc1ccccc1)O[C@@H]1[C@](O)(Cc2ccccc2)[C@@](O)(Cc2ccccc2)[C@](O)(Cc2ccccc2)[C@@](O)(Cc2ccccc2)[C@@]1(O)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
ANPEP P15144 1/20 0.38
LAP3 P28838 1/20 0.38
SRC P12931 1/20 0.38
PDPK1 O15530 1/20 0.36
MTOR P42345 1/20 0.36
TSHR P16473 1/20 0.35
ELANE P08246 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KLK1 P06870 1/20 0.33
PRTN3 P24158 1/20 0.32
KLK8 O60259 1/20 0.32
PLAU P00749 1/20 0.32
KLK2 P20151 1/20 0.32
KLK4 Q9Y5K2 1/20 0.32

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
SCHEMBL9767803 0.70 MAOA (0.38) TSHR
SCHEMBL9767801 0.70 MAOA (0.38) TSHR
SCHEMBL6922576 0.70 MAOA (0.38) TSHR
SCHEMBL9053809 0.69 ALDH1A1 (0.40) TSHRTDP1
SCHEMBL9053489 0.67 HPGD (0.36) PDPK1MTORTSHR
SCHEMBL381492 0.67 TSHR (0.57) MEN1HTTKMT2AANPEPLAP3
SCHEMBL9568480 0.67 TSHR (0.57) MEN1HTTKMT2AANPEPLAP3
SCHEMBL9873142 0.67 PDPK1 (0.60) MEN1HTTKMT2AANPEPLAP3
Triphenyl Phosphate SCHEMBL18116 0.65 SRC (0.64) MEN1HTTKMT2ASRCTSHR
Triphenyl Phosphate SCHEMBL483692 0.65 SRC (0.64) MEN1HTTKMT2ASRCTSHR

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-5026898-A Cell process controllers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-06-25 US disclosed
US-4924023-A MEDICINE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-05-08 US disclosed
US-4873355-A Process for regioselectively preparing phosphorylated inositols and other cyclitols E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-10-10 US disclosed