SCHEMBL8528333

SCHEMBL8528333

CCC(O)OCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
TRPA1 O75762 1/20 0.43
LMNA P02545 1/20 0.41
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
PPARG P37231 1/20 0.40
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
IDO1 P14902 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL13855310 0.87 MEN1 (0.38) TDP1TRPA1LMNAPPARGCHRNB4
SCHEMBL8673478 0.85 PPARG (0.42) TDP1PTGESALOX5PPARGPOLB
SCHEMBL4285383 0.82 TRPA1 (0.43) TDP1TRPA1PPARGCA1CA2
SCHEMBL31303557 0.80 CA1 (0.47) TDP1TRPA1CA1CA2CA9
SCHEMBL94897 0.80 TDP1 (0.43) TDP1TRPA1CA1CA2CA9
SCHEMBL4849161 0.80 CA1 (0.46) TRPA1LMNACA1CA2CA9
SCHEMBL6361832 0.80 CA1 (0.46) TDP1PTGESALOX5PPARGCA1
SCHEMBL345617 0.80 CA1 (0.46) TRPA1LMNACA1CA2CA9
SCHEMBL6239894 0.80 CSNK1E (0.50) PTGESALOX5PPARG
SCHEMBL27569840 0.79 TDP1 (0.46) TDP1LMNACA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780938-B2 Copolymers containing pendant ionomeric carbosilane groups 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-10-10 US disclosed
US-20230203212-A1 COPOLYMERS CONTAINING PENDANT IONOMERIC CARBOSILANE GROUPS US DEPARTMENT OF ENERGY 2023-06-29 US disclosed
EP-4077415-B1 COPOLYMERS CONTAINING PENDANT IONOMERIC CARBOSILANE GROUPS 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-06-14 EP disclosed
CN-114829412-B Copolymers containing pendant ionomeric carbosilane groups 3M创新有限公司 2023-05-16 CN disclosed
CN-114829412-A Copolymers comprising pendant ionomeric carbosilane groups 3M创新有限公司 2022-07-29 CN disclosed
WO-2021123997-A1 COPOLYMERS CONTAINING PENDANT IONOMERIC CARBOSILANE GROUPS 3M INNOVATIVE PROPERTIES COMPANY (US) 2021-06-24 WO disclosed
EP-0649418-B1 7-(2-AMINOETHYL)-BENZOTHIAZOLONES ASTRA PHARMA PROD (GB) 1998-10-28 EP disclosed
US-5763465-A 7-(2-aminoethyl) benzothiazolones ASTRA PHARMACEUTICALS LIMITED (GB) 1998-06-09 US disclosed