SCHEMBL5079331

SCHEMBL5079331

CC(C)CCC(CO)(COC(=O)c1ccccc1-c1ccccc1C(=O)OCC(CO)(CCC(C)C)C(C)C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
ALDH1A1 P00352 3/20 0.43
SCN1A P35498 3/20 0.38
SCN2A Q99250 3/20 0.38
SCN3A Q9NY46 3/20 0.38
KCNA5 P22460 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5079328 0.95 ALDH1A1 (0.40) TSHRALDH1A1SCN1ASCN2ASCN3A
SCHEMBL5081347 0.93 TSHR (0.50) TSHRALDH1A1MEN1KMT2ANPSR1
SCHEMBL4839324 0.89 ALDH1A1 (0.46) TSHRALDH1A1MEN1KMT2ANPSR1
SCHEMBL4577217 0.84 MAPK1 (0.50) TSHRALDH1A1SCN1ASCN2ASCN3A
SCHEMBL5079332 0.81 LTB4R2 (0.43) ALDH1A1KCNA5MEN1KMT2AL3MBTL1
SCHEMBL561534 0.77 MAPK1 (0.54) TSHRALDH1A1SCN1ASCN2ASCN3A
Phthalic Acid SCHEMBL5081349 0.76 ALDH1A1 (0.44) TSHRALDH1A1MAPTTP53TDP1
Ethylene Glycol SCHEMBL17996174 0.76 MAPK1 (0.50) TSHRALDH1A1SCN1ASCN2ASCN3A
SCHEMBL28083621 0.74 ALDH1A1 (0.61) TSHRALDH1A1MEN1KMT2ANPSR1
SCHEMBL4838969 0.73 ADRB2 (0.44) ALDH1A1MAPTTP53TDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1666505-B1 CATALYST COMPONENTS CATALYSTS FOR OLEFINIC POLYMERIZATION AND THE USE THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2016-03-23 EP disclosed
US-7332455-B2 Catalyst component and catalyst for olefin polymerization as well as use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-02-19 US disclosed
EP-1666505-A1 CATALYST COMPONENTS CATALYSTS FOR OLEFINIC POLYMERIZATION AND THE USE THEREOF China Petroleum & Chemical Corporation (CN) 2006-06-07 EP disclosed
US-20050119427-A1 Catalyst component and catalyst for olefin polymerization as well as use thereof BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2005-06-02 US disclosed