SCHEMBL11057536

SCHEMBL11057536

CC1(C(=O)O)CCCC(C)(C(=O)O)C1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.40
F10 P00742 3/20 0.37
PTPN1 P18031 2/20 0.36
MMP2 P08253 1/20 0.36
PTPN2 P17706 1/20 0.36
CDC25B P30305 1/20 0.36
APLNR P35414 1/20 0.36
POLA1 P09884 2/20 0.34
NR1H3 Q13133 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
SCHEMBL10668249 0.75 UGT2B7 (0.43) FFAR3APLNR
SCHEMBL10715854 0.73 SLC1A2 (0.40) FFAR3F10PTPN1MMP2PTPN2
SCHEMBL19296162 0.71 SLC1A2 (0.39) FFAR3F10PTPN1MMP2PTPN2
SCHEMBL158905 0.71 SLC1A2 (0.39) FFAR3F10PTPN1MMP2PTPN2
SCHEMBL6061197 0.70 SLC1A2 (0.35) F10PTPN1MMP2PTPN2CDC25B
SCHEMBL2130847 0.70 FFAR3 (0.34) FFAR3F10PTPN1MMP2PTPN2
SCHEMBL28968495 0.70 SLC1A2 (0.38) FFAR3F10PTPN1MMP2PTPN2
Hydrochloric Acid SCHEMBL29273218 0.70 SLC1A2 (0.38) FFAR3F10PTPN1MMP2PTPN2
SCHEMBL28968519 0.70 SLC1A2 (0.38) FFAR3F10PTPN1MMP2PTPN2
SCHEMBL2130858 0.70 FFAR3 (0.34) FFAR3F10PTPN1MMP2PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4317760-A PLASTICIZING-CHLOROPOLYMERS WITH AN AROMATIC ESTER OR POLYLACTONE MODIFIED BY AN ACID AND ALCOHOL DAINIPPON INK AND CHEMICALS, INC. (JP) 1982-03-02 US claimed
EP-0023363-B1 PLASTICIZER FOR POLYMERS THAT CONTAIN HALOGEN DAINIPPON INK AND CHEMICALS, INC. (JP) 1984-06-13 EP disclosed
US-4454313-A HEAT RESISTANT PLASTICIZER DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1984-06-12 US disclosed
US-4421885-A HEAT RESISTANT MOLDING MATERIALS DAINIPPON INK AND CHEMICALS, INC. (JP) 1983-12-20 US disclosed
US-4317760-A PLASTICIZING-CHLOROPOLYMERS WITH AN AROMATIC ESTER OR POLYLACTONE MODIFIED BY AN ACID AND ALCOHOL DAINIPPON INK AND CHEMICALS, INC. (JP) 1982-03-02 US disclosed
EP-0023363-A1 Plasticizer for polymers that contain halogen DAINIPPON INK AND CHEMICALS, INC. (JP) 1981-02-04 EP disclosed