SCHEMBL6826889

SCHEMBL6826889

CC(C)(CO)COC(=O)CCCCC(=O)O.CCCC(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 2/20 0.40
FFAR4 Q5NUL3 2/20 0.40
FFAR1 O14842 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
DUSP3 P51452 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 4/20 0.37
TDP1 Q9NUW8 3/20 0.37
CYP3A4 P08684 1/20 0.37
ATM Q13315 1/20 0.37
AKR1B1 P15121 1/20 0.37
P2RY10 O00398 1/20 0.36
GPR34 Q9UPC5 1/20 0.36
PPARG P37231 5/20 0.36
PPARD Q03181 5/20 0.36
PPARA Q07869 5/20 0.36

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
SCHEMBL736748 0.92 FFAR4 (0.48) PAMFFAR4FFAR1MEN1KMT2A
SCHEMBL28388701 0.87 PAM (0.42) PAMFFAR4FFAR1MEN1KMT2A
SCHEMBL230981 0.87 TSHR (0.44) PAMFFAR4FFAR1MEN1KMT2A
Dodecane SCHEMBL11247063 0.85 PAM (0.56) PAMFFAR4FFAR1MEN1KMT2A
SCHEMBL8522424 0.85 PAM (0.44) PAMFFAR4FFAR1MEN1KMT2A
SCHEMBL8594577 0.85 PAM (0.44) PAMFFAR4FFAR1MEN1KMT2A
Adipic Acid SCHEMBL28148639 0.85 FFAR4 (0.49) FFAR4FFAR1MEN1KMT2ALMNA
Butyl Alcohol SCHEMBL11037336 0.84 PAM (0.46) PAMFFAR4FFAR1MEN1KMT2A
SCHEMBL3740368 0.83 ALDH1A1 (0.36) PAMFFAR4FFAR1MEN1KMT2A
1,4-Butanediol SCHEMBL3703747 0.82 GPR84 (0.48) PAMFFAR4FFAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6740705-B2 DISSOLVING AND REACTING DIOL AND DI-ISOCYANATE IN ADDITION POLYMERISABLE HYDROPHOBIC MONOMER; DISPERSING HYDROPHOBIC SOLUTION IN WATER CONTAINING SURFACTANT; FORMING POLYURETHANE-UREA BY CHAIN EXTENSION; ADDITION POLYMERIZATION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 2004-05-25 US disclosed
EP-1164150-B1 A process for making poly(urethane-urea)/addition polymer composite particles ICI PLC (GB) 2003-01-08 EP disclosed
EP-1164150-A1 A process for making poly(urethane-urea)/addition polymer composite particles IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 2001-12-19 EP disclosed
US-4945356-A Strip material for and a surface mounted inductive loop MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-07-31 US disclosed