SCHEMBL11224593

SCHEMBL11224593

C=CC(=O)CCC=C(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PPARG P37231 1/20 0.38
BACE1 P56817 3/20 0.36
CD81 P60033 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
TBXAS1 P24557 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
ALOX5 P09917 1/20 0.30

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
SCHEMBL11224557 1.00 TSHR (0.39) TSHRALDH1A1PPARGBACE1CD81
SCHEMBL480078 0.83 BACE1 (0.41) PPARGBACE1CD81KDM4EATM
SCHEMBL6864095 0.82 TSHR (0.38) TSHRALDH1A1KDM4EATMPOLB
SCHEMBL28682934 0.79 PPARG (0.35) TSHRALDH1A1PPARGBACE1CD81
SCHEMBL11737217 0.78 PPARG (0.40) TSHRPPARGBACE1CD81KDM4E
SCHEMBL11737202 0.78 PPARG (0.40) TSHRPPARGBACE1CD81KDM4E
SCHEMBL435540 0.78 LMNA (0.42) ALDH1A1PPARGBACE1CD81KDM4E
SCHEMBL2918368 0.78 KDM4E (0.45) ALDH1A1PPARGBACE1CD81KDM4E
SCHEMBL2918372 0.78 KDM4E (0.45) ALDH1A1PPARGBACE1CD81KDM4E
SCHEMBL33626 0.78 LMNA (0.42) ALDH1A1PPARGBACE1CD81KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4229431-A IN SITU POLYMERIZATION LEE PHARMACEUTICALS (US) 1980-10-21 US claimed
US-4104333-A COMPOSITIONS CONTAINING CROSSLINKING MONOMERS, MONOACRYLATES, INITIATORS AND ACCELERATORS LEE PHARMACEUTICALS (US) 1978-08-01 US claimed
CN-1291250-C Phase dfiference film comprising polymer film having ultraviolet curable resin composition for alignment film and liquid crystalline compound NIPPON KAYAKU KK (JP) 2006-12-20 CN disclosed
CN-1493007-A Phase dfiference film comprising polymer film having ultraviolet curable resin composition for alignment film and liquid crystalline compound 日本化药株式会社 2004-04-28 CN disclosed
US-4340532-A CURABLE ORTHODONTIC COMPOSITION LEE PHARMACEUTICALS, INC. (US) 1982-07-20 US disclosed
US-4340529-A CURABLE ACRYLATE PRIMER LEE PHARMACEUTICALS, INC. (US) 1982-07-20 US disclosed
US-4260701-A Formulation for self-curing artificial fingernails containing methoxyethyl methacrylate LEE PHARMACEUTICALS (US) 1981-04-07 US disclosed
US-4229431-A IN SITU POLYMERIZATION LEE PHARMACEUTICALS (US) 1980-10-21 US disclosed
US-4104333-A COMPOSITIONS CONTAINING CROSSLINKING MONOMERS, MONOACRYLATES, INITIATORS AND ACCELERATORS LEE PHARMACEUTICALS (US) 1978-08-01 US disclosed