SCHEMBL9167366

SCHEMBL9167366

C=CCc1ccccc1OC(Cc1ccccc1)CC(P(=O)(O)O)S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 4/20 0.38
ADRA2A P08913 3/20 0.38
ADRA2B P18089 3/20 0.38
HTR1A P08908 3/20 0.38
KDM4E B2RXH2 2/20 0.38
KCNH2 Q12809 2/20 0.38
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
VCAM1 P19320 1/20 0.34
LAP3 P28838 3/20 0.34
ANPEP P15144 1/20 0.34
ALDH1A1 P00352 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
ACP3 P15309 1/20 0.33
ADRB2 P07550 3/20 0.33
ADRB1 P08588 3/20 0.33
LMNA P02545 1/20 0.33
ADRB3 P13945 1/20 0.33
SLC6A2 P23975 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
SCHEMBL8947080 0.88 AKR1C3 (0.35) KDM4ELAP3ANPEPAKR1C3AKR1C2
SCHEMBL8625379 0.84 PPARA (0.38) ADRA2CADRA2AADRA2BHTR1ALAP3
SCHEMBL8947039 0.83 LAP3 (0.36) LAP3ANPEPALDH1A1ACP3
SCHEMBL8824820 0.82 LAP3 (0.33) LAP3ANPEPACP3TSHR
SCHEMBL8947013 0.82 HTR2A (0.35) LAP3ANPEPACP3
SCHEMBL8618813 0.82 PPARA (0.37) LAP3ANPEP
SCHEMBL8623433 0.81 SCN4A (0.39) LAP3ANPEPACP3
SCHEMBL8620463 0.80 FDFT1 (0.38) LAP3ANPEPACP3
SCHEMBL8625231 0.80 ACP3 (0.47) KDM4ELAP3ANPEPALDH1A1ACP3
SCHEMBL8618892 0.79 LAP3 (0.43) LAP3ANPEPACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5470845-A Methods of using α-phosphonosulfonate squalene synthetase inhibitors including the treatment of atherosclerosis and hypercholesterolemia BRISTOL-MYERS SQUIBB COMPANY (US) 1995-11-28 US claimed
EP-0595635-A1 Alpha-phosphorous substituted sulfonate derivatives as squalene synthetase inhibitors E.R. Squibb & Sons, Inc. (US) 1994-05-04 EP claimed
US-5470845-A Methods of using α-phosphonosulfonate squalene synthetase inhibitors including the treatment of atherosclerosis and hypercholesterolemia BRISTOL-MYERS SQUIBB COMPANY (US) 1995-11-28 US disclosed
EP-0595635-A1 Alpha-phosphorous substituted sulfonate derivatives as squalene synthetase inhibitors E.R. Squibb & Sons, Inc. (US) 1994-05-04 EP disclosed