SCHEMBL11027062

SCHEMBL11027062

CC(C)C(=O)OC(C(C)C)C(C)(C)COC(=O)c1ccccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
TSHR P16473 7/20 0.43
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HIF1A Q16665 1/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 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
SCHEMBL11027061 0.90 ALDH1A1 (0.45) ALDH1A1TSHRNPSR1MEN1KMT2A
SCHEMBL157371 0.85 MAPK1 (0.51) ALDH1A1TSHRMEN1KMT2ATDP1
Phthalic Acid SCHEMBL19668730 0.85 ALDH1A1 (0.56) ALDH1A1TSHRNPSR1KMT2ATDP1
SCHEMBL9575448 0.84 ALDH1A1 (0.44) ALDH1A1TSHRNPSR1MEN1KMT2A
SCHEMBL29881110 0.82 ALDH1A1 (0.57) ALDH1A1TSHRNPSR1MEN1KMT2A
SCHEMBL29765626 0.81 ALDH1A1 (0.50) ALDH1A1TSHRNPSR1KMT2ATDP1
SCHEMBL159120 0.81 ALDH1A1 (0.50) ALDH1A1TSHRNPSR1KMT2ATDP1
SCHEMBL2549891 0.79 ALDH1A1 (0.42) ALDH1A1TSHRKMT2ATDP1L3MBTL1
SCHEMBL157372 0.77 MAPK1 (0.44) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL21534140 0.77 ADRB2 (0.43) ALDH1A1TSHRMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0050411-B1 PROCESS FOR THE PRODUCTION OF VINYL CHLORIDE POLYMERS HAVING IMPROVED OPTICAL PROPERTIES TENNECO POLYMERS, INC. (US) 1985-03-13 EP disclosed
EP-0050411-A1 Process for the production of vinyl chloride polymers having improved optical properties TENNECO POLYMERS, INC. (US) 1982-04-28 EP disclosed
US-4316987-A Partial (2,2,4-trimethylpentane-1,3-diol monoisobutyrate) esters of polycarboxylic acids and water-soluble salts of said partial esters TENNECOCHEMICALS, INC. (US) 1982-02-23 US disclosed