SCHEMBL2199100

SCHEMBL2199100

CCCCCc1ccc(Nc2ccc(-c3ccc4c(c3)C(=O)N(C3(C(=O)O)CCCC3)C4)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.39
RARA P10276 2/20 0.39
RARG P13631 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MTOR P42345 1/20 0.38
KMT2A Q03164 1/20 0.38
SPHK1 Q9NYA1 5/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
UNG P13051 5/20 0.35

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
SCHEMBL2197327 0.91 RARB (0.35) RARBRARARARGMEN1ALDH1A1
SCHEMBL2177806 0.91 TRPV1 (0.44) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL2199101 0.83 ALDH1A1 (0.37) RARBRARARARGALDH1A1SPHK1
SCHEMBL2194260 0.83 DGAT1 (0.39) ALDH1A1MAPT
SCHEMBL2202230 0.83 JAK2 (0.38)
SCHEMBL2179294 0.82 KDM4E (0.41) MAPT
SCHEMBL2197176 0.82 KIF11 (0.38) MEN1MAPTKMT2A
SCHEMBL2196753 0.81 JAK2 (0.38)
SCHEMBL2198725 0.78 JAK2 (0.40)
SCHEMBL2177810 0.76 KDM4E (0.41) MAPTSPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP disclosed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 WO disclosed