SCHEMBL14404132

SCHEMBL14404132

CCCCCCC(C)(C)C(CC)OC

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
THRB P10828 1/20 0.33
GGPS1 O95749 4/20 0.32
SMPD1 P17405 3/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LPAR6 P43657 3/20 0.32
LPAR1 Q92633 3/20 0.32
LPAR4 Q99677 3/20 0.32
LPAR5 Q9H1C0 3/20 0.32
LPAR2 Q9HBW0 3/20 0.32
LPAR3 Q9UBY5 3/20 0.32
FDPS P14324 6/20 0.31

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
SCHEMBL11664049 0.75
SCHEMBL1657544 0.73 ALDH1A1 (0.33) TSHRALDH1A1LMNAHSD17B10MEN1
SCHEMBL12220685 0.72 TSHR (0.41) TSHRALDH1A1
SCHEMBL12220678 0.72 TSHR (0.41) TSHRALDH1A1
SCHEMBL26855936 0.72 LPAR3 (0.37) TSHRTHRBGGPS1SMPD1LPAR6
SCHEMBL28674433 0.71 TSHR (0.38) TSHRTHRBGGPS1ALDH1A1LMNA
SCHEMBL3148134 0.70 TSHR (0.46) TSHRTHRBGGPS1SMPD1ALDH1A1
SCHEMBL19432796 0.70 TSHR (0.42) TSHRTHRBGGPS1ALDH1A1LMNA
SCHEMBL20609962 0.70 TSHR (0.42) TSHRTHRBGGPS1ALDH1A1LMNA
SCHEMBL95578 0.70 TSHR (0.46) TSHRTHRBGGPS1SMPD1ALDH1A1

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
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 US disclosed