SCHEMBL6941987

SCHEMBL6941987

CCCc1cc(CCC)c(CC(=O)c2c(CCC)cc(CCC)cc2CCC)c(CCC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.41
PTPN11 Q06124 3/20 0.41
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
XBP1 P17861 1/20 0.37
HIF1A Q16665 1/20 0.37
GPR84 Q9NQS5 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
PRKCI P41743 1/20 0.34
PTPN2 P17706 1/20 0.33
CA12 O43570 1/20 0.33
PLK1 P53350 1/20 0.33
MTNR1A P48039 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
ALOX5 P09917 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 2/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 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
SCHEMBL6936615 0.78 PPARG (0.36) PTPN1PTPN11LMNAMAPTXBP1
SCHEMBL11684526 0.74 HPGD (0.37) PTPN1PTPN11ALOX5HPGDNPC1
SCHEMBL9080680 0.73 L3MBTL1 (0.46) PTPN1PTPN11LMNAL3MBTL1ALOX5
SCHEMBL18242591 0.72 PTPN1 (0.41) PTPN1PTPN11PRKCICA12MTNR1A
SCHEMBL18243922 0.72 PTPN1 (0.34) PTPN1PTPN11GPR84PLK1MTNR1A
SCHEMBL3633717 0.72 FLT1 (0.34) PTPN1PTPN11LMNAMAPTXBP1
SCHEMBL18242177 0.71 ALOX5 (0.36) PTPN1PTPN11MTNR1AALOX5HPGD
SCHEMBL4960554 0.69 HTT (0.53) PTPN1PTPN11HIF1AALOX5HPGD
SCHEMBL20681219 0.69 MAPT (0.44) PTPN1PTPN11LMNAMAPTXBP1
SCHEMBL5251259 0.69 ALOX5 (0.33) PTPN1PTPN11ALOX5HPGDNPC1

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
JP-2003513909-A 2003-04-15 JP claimed
EP-1229907-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-08-14 EP claimed
WO-2001034127-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-05-17 WO claimed