SCHEMBL9575448

SCHEMBL9575448

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
TSHR P16473 6/20 0.44
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 3/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 2/20 0.35
MEN1 O00255 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CA2 P00918 1/20 0.34

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 0.95 ALDH1A1 (0.45) ALDH1A1TSHRKMT2ATDP1L3MBTL1
SCHEMBL21534140 0.92 ADRB2 (0.43) ALDH1A1TSHRKMT2AL3MBTL1HSD17B10
SCHEMBL29765626 0.90 ALDH1A1 (0.50) ALDH1A1TSHRKMT2ATDP1L3MBTL1
SCHEMBL159120 0.90 ALDH1A1 (0.50) ALDH1A1TSHRKMT2ATDP1L3MBTL1
SCHEMBL157372 0.87 MAPK1 (0.44) ALDH1A1TSHRKMT2ATDP1HSD17B10
Phthalic Acid SCHEMBL19668730 0.87 ALDH1A1 (0.56) ALDH1A1TSHRKMT2ATDP1L3MBTL1
SCHEMBL21534142 0.85 KMT2A (0.41) ALDH1A1TSHRKMT2ATDP1L3MBTL1
SCHEMBL11027062 0.84 ALDH1A1 (0.44) ALDH1A1TSHRKMT2ATDP1L3MBTL1
SCHEMBL43993 0.80 ALDH1A1 (0.33) ALDH1A1POLBMAPT
SCHEMBL29796685 0.80 ALDH1A1 (0.33) ALDH1A1POLBMAPT

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-5248546-A Insulation THE B. F. GOODRICH COMPANY (US) 1993-09-28 US disclosed
EP-0529576-A1 Vinyl based articles in contact with chloro-fluoro chemicals The Geon Company (US) 1993-03-03 EP disclosed