SCHEMBL8197348

SCHEMBL8197348

Cc1ccc(S(=O)(=O)n2c(C(=O)OC(C)(C)C)c(-c3ccccc3)c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.55
PCSK9 Q8NBP7 1/20 0.50
PSEN1 P49768 2/20 0.49
PSEN2 P49810 2/20 0.49
APH1B Q8WW43 2/20 0.49
NCSTN Q92542 2/20 0.49
APH1A Q96BI3 2/20 0.49
PSENEN Q9NZ42 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.45
HTR6 P50406 4/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NOD1 Q9Y239 3/20 0.43
NOD2 Q9HC29 2/20 0.43
ACLY P53396 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL11901256 0.86 NOD2 (0.56) AGTR1PCSK9PSEN1PSEN2APH1B
SCHEMBL8188816 0.85 AGTR1 (0.66) AGTR1PCSK9PSEN1PSEN2APH1B
SCHEMBL28408418 0.76 AGTR1 (0.70) AGTR1PCSK9PSEN1PSEN2APH1B
SCHEMBL11900992 0.75 PCSK9 (0.67) AGTR1PCSK9PSEN1PSEN2APH1B
SCHEMBL11900468 0.75 AGTR1 (0.70) AGTR1PCSK9PSEN1PSEN2APH1B
SCHEMBL6858321 0.74 PPARG (0.57) HTR6
SCHEMBL17297375 0.74 HTR6 (0.67) AGTR1PCSK9PSEN1PSEN2APH1B
SCHEMBL29357508 0.74 HTR6 (0.67) AGTR1PCSK9PSEN1PSEN2APH1B
SCHEMBL11900581 0.74 AGTR1 (0.57) AGTR1PCSK9PSEN1PSEN2APH1B
SCHEMBL11900678 0.73 PCSK9 (0.56) AGTR1PCSK9PSEN1PSEN2APH1B

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-RE36832-E AN ANTICHOLESTEROL AGENT TREATING HYPERCHOLESTEROLEMIA NIHON NOHYAKU CO., LTD (JP) 2000-08-22 US disclosed
EP-0613894-B1 N-Heteroaryl-N'-phenylurea derivatives, their production and use NIHON NOHYAKU CO LTD (JP) 1999-05-06 EP disclosed
US-5464863-A Anticholesterol agents NIHON NOHYAKU CO., LTD. (JP) 1995-11-07 US disclosed
EP-0613894-A1 N-Heteroaryl-N'-phenylurea derivatives, their production and use NIHON NOHYAKU CO., LTD. (JP) 1994-09-07 EP disclosed