SCHEMBL7657758

SCHEMBL7657758

CC(C)COC(=O)C(C(=O)OCC(C)C)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 6/20 0.41
EPHX1 P07099 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
THRB P10828 1/20 0.39
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL19926217 0.91 TSHR (0.40) RAB9AALDH1A1NPSR1TSHREPHX1
SCHEMBL24131762 0.84 RAB9A (0.42) RAB9AALDH1A1NPSR1TSHREPHX1
SCHEMBL19926068 0.82 TSHR (0.42) RAB9AALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL1782429 0.82 RAB9A (0.41) RAB9AALDH1A1NPSR1TSHREPHX1
SCHEMBL16732027 0.82 RAB9A (0.41) RAB9AALDH1A1NPSR1TSHREPHX1
SCHEMBL16732304 0.81 RAB9A (0.41) RAB9AALDH1A1NPSR1TSHREPHX1
SCHEMBL7660213 0.81 ALDH1A1 (0.40) RAB9AALDH1A1NPSR1TSHREPHX1
SCHEMBL334541 0.79 ALDH1A1 (0.59) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL29220123 0.78 TSHR (0.39) RAB9AALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL1433202 0.78 ALDH1A1 (0.62) ALDH1A1NPSR1TSHRL3MBTL1THRB

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
US-6495639-B1 STEREOSPECIFIC HOMO- OR CO- SLURRY POLYMERIZATION; TITANIUM AND MAGNESIUM DIESTER COMPLEX WITH SUCH AS TRIETHYLALUMINIUM AND DICYCLOPENTYLDIMETHOXYSILANE; HIGH ACTIVITY, SAFE, INEXPENSIVE, EASY TO PRODUCE IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2002-12-17 US disclosed
US-6204215-B1 AS POLYMERIZATION CATALYST FOR PRODUCING STEREOSPECIFIC POLYMERS IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2001-03-20 US disclosed