SCHEMBL9080680

SCHEMBL9080680

CCCc1cc(CCC)c(CCC(=O)O)c(CCC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
LMNA P02545 1/20 0.40
KEAP1 Q14145 1/20 0.39
PTPN1 P18031 2/20 0.39
PTPN11 Q06124 2/20 0.39
ALDH1A1 P00352 1/20 0.38
FFAR3 O14843 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
GPR17 Q13304 1/20 0.38
FFAR1 O14842 1/20 0.37
HSD17B10 Q99714 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL11684526 0.80 HPGD (0.37) NPSR1PTPN1PTPN11ALDH1A1ALOX5
SCHEMBL18242177 0.76 ALOX5 (0.36) NPSR1PTPN1PTPN11ALDH1A1ALOX5
SCHEMBL1206798 0.74 L3MBTL1 (0.69) L3MBTL1LMNAKEAP1ALDH1A1FFAR1
SCHEMBL18243922 0.74 PTPN1 (0.34) NPSR1PTPN1PTPN11ALDH1A1ALOX5
SCHEMBL18554686 0.73 NPSR1 (0.48) L3MBTL1NPSR1THRATHRBLMNA
SCHEMBL18242213 0.73 HTT (0.38) NPSR1PTPN1PTPN11ALDH1A1ALOX5
SCHEMBL29188156 0.73 NPSR1 (0.53) L3MBTL1NPSR1KEAP1ALDH1A1GPR17
SCHEMBL6941987 0.73 PTPN1 (0.41) L3MBTL1NPSR1THRBLMNAPTPN1
SCHEMBL11015322 0.73 GAA (0.55) NPSR1THRATHRBLMNAALDH1A1
SCHEMBL10879029 0.72 L3MBTL1 (0.72) L3MBTL1LMNAKEAP1ALDH1A1FFAR1

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
EP-0698010-A1 N-ACYL SULFAMIC ACID ESTERS (OR THIOESTERS), N-ACYL SULFONAMIDES, AND N-SULFONYL CARBAMIC ACID ESTERS (OR THIOESTERS) AS HYPERCHOLESTEROLEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1996-02-28 EP disclosed