SCHEMBL13688317

SCHEMBL13688317

CCCCC(CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.36
GAA P10253 5/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 5/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 4/20 0.33
MAPT P10636 2/20 0.33
XBP1 P17861 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CACNA1A O00555 1/20 0.32
CACNA2D1 P54289 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
SCHEMBL10000628 0.85 GAA (0.39) HMGCRGAAPKMHTTKMT2A
SCHEMBL25141789 0.83 HMGCR (0.39) HMGCRGAAPKMHTTKMT2A
SCHEMBL12744431 0.81 GAA (0.36) HMGCRGAAPKMHTTKMT2A
SCHEMBL10064556 0.80 KMT2A (0.39) HMGCRGAAPKMHTTKMT2A
SCHEMBL334874 0.79 GAA (0.39) HMGCRGAAPKMHTTKMT2A
SCHEMBL14399902 0.79 ALDH1A1 (0.41) GAAPKMHTTKMT2AMEN1
SCHEMBL7759193 0.79 IDH1 (0.33) GAAPKMHTTKMT2AMEN1
SCHEMBL3450269 0.79 GAA (0.37) HMGCRGAAPKMHTTKMT2A
SCHEMBL7759198 0.79 GAA (0.37) HMGCRGAAPKMHTTKMT2A
SCHEMBL2546593 0.78 GAA (0.38) HMGCRGAAPKMHTTKMT2A

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-7589035-B2 Stabilized body care products, household products, textiles and fabrics CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-09-15 US disclosed