SCHEMBL6943629

SCHEMBL6943629

CCC(C)c1ccc(C(=O)[C@@H]2C[C@H]2c2ccccc2)c(C(C)CC)c1OS(N)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.37
GPR88 Q9GZN0 11/20 0.36
SCN3A Q9NY46 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRNA7 P36544 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34

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
SCHEMBL5464216 0.86 SIGMAR1 (0.37) SIGMAR1GPR88MEN1KMT2ACHRNA7
SCHEMBL5464210 0.86 SIGMAR1 (0.37) SIGMAR1GPR88MEN1KMT2ACHRNA7
SCHEMBL7206322 0.63 CA1 (0.36)
SCHEMBL7211026 0.63 CHRM2 (0.38) SIGMAR1MEN1KMT2A
SCHEMBL7207511 0.63 STS (0.48) MEN1KMT2A
SCHEMBL6507306 0.62 HDAC4 (0.53) SIGMAR1MEN1KMT2AALDH1A1HRH3
SCHEMBL7211822 0.62 STS (0.40)
SCHEMBL7211202 0.62 CA12 (0.38)
SCHEMBL7207611 0.61 CA1 (0.37) MEN1KMT2A
SCHEMBL7211852 0.60 HRH3 (0.42) SIGMAR1GPR88ALDH1A1HRH3

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