SCHEMBL29489355

SCHEMBL29489355

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.50
ALDH1A1 P00352 6/20 0.50
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
ELANE P08246 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 2/20 0.38
CFTR P13569 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 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
SCHEMBL5070915 0.93 ALDH1A1 (0.50) TSHRALDH1A1TDP1LMNAHSD17B10
Ethane SCHEMBL27588974 0.91 ALDH1A1 (0.48) TSHRALDH1A1TDP1LMNAHSD17B10
SCHEMBL28466734 0.88 AKR1C3 (0.50) TSHRALDH1A1TDP1L3MBTL1LMNA
SCHEMBL11769004 0.83 TSHR (0.47) TSHRALDH1A1TDP1L3MBTL1LMNA
SCHEMBL28970002 0.82 CYP2D6 (0.54) TSHRALDH1A1TDP1L3MBTL1LMNA
SCHEMBL30111657 0.80 TSHR (0.50) TSHRALDH1A1TDP1L3MBTL1LMNA
SCHEMBL109178 0.80 TSHR (0.50) TSHRALDH1A1TDP1L3MBTL1LMNA
Hydrogen Peroxide SCHEMBL29048859 0.78 TSHR (0.48) TSHRALDH1A1TDP1L3MBTL1LMNA
SCHEMBL3286890 0.78 TSHR (0.48) TSHRALDH1A1TDP1L3MBTL1LMNA
SCHEMBL2280259 0.78 L3MBTL1 (0.38) TSHRALDH1A1TDP1L3MBTL1LMNA

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
EP-2876118-B1 METHOD FOR PRODUCING SOLID CATALYST COMPONENT FOR USE IN POLYMERIZATION OF OLEFIN, CATALYST FOR USE IN POLYMERIZATION OF OLEFIN, AND METHOD FOR PRODUCING OLEFIN POLYMER TOHO TITANIUM CO LTD (JP) 2022-04-06 EP disclosed