SCHEMBL7611071

SCHEMBL7611071

CCC(CC)(CC(=O)O)c1ccc(CCC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.50
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
KEAP1 Q14145 1/20 0.48
NR1H4 Q96RI1 2/20 0.48
EPHX2 P34913 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 1/20 0.45
SLC13A5 Q86YT5 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL861913 0.79 RXRA (0.55) FFAR1RXRARXRBRXRGKEAP1
SCHEMBL28810886 0.78 CYP2C19 (0.59) L3MBTL1LMNAALDH1A1
SCHEMBL846131 0.77 NR1H4 (0.71) FFAR1RXRARXRBRXRGKEAP1
SCHEMBL69746 0.75 FFAR1 (0.81) FFAR1KEAP1L3MBTL1LMNAFFAR4
SCHEMBL7407541 0.75 RXRA (0.58) FFAR1RXRARXRBRXRGKEAP1
SCHEMBL1604732 0.74 CYP2C19 (0.59) L3MBTL1LMNAALDH1A1
SCHEMBL1206896 0.74 FFAR1 (0.65) FFAR1RXRARXRBRXRGKEAP1
SCHEMBL1206798 0.74 L3MBTL1 (0.69) FFAR1KEAP1L3MBTL1LMNAALDH1A1
Hydrochloric Acid SCHEMBL25264643 0.73 FFAR1 (0.77) FFAR1KEAP1L3MBTL1LMNAFFAR4
SCHEMBL117230 0.73 FFAR1 (0.73) FFAR1KEAP1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108290749-B Novel synthetic crystalline EMM-28 material, its preparation and use 埃克森美孚科技工程公司 2022-06-24 CN disclosed
EP-1223166-A1 Linked cyclic polyamines with activity against hiv. AnorMED Inc. (CA) 2002-07-17 EP disclosed