SCHEMBL28861012

SCHEMBL28861012

CC(C)(C)c1cc(CCC(=O)O)cc(Cn2nc3ccc(C(F)(F)F)cc3n2)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.39
FFAR1 O14842 6/20 0.38
NR1H4 Q96RI1 1/20 0.37
GAA P10253 2/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
FFAR2 O15552 1/20 0.37
GCGR P47871 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
PLA2G10 O15496 1/20 0.36
PLA2G2A P14555 1/20 0.36
PLA2G5 P39877 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
AGTR1 P30556 1/20 0.35

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
SCHEMBL2641087 0.84 GAA (0.38) FFAR4FFAR1NR1H4GAARXRA
SCHEMBL4815920 0.77 NR1H4 (0.38) FFAR4FFAR1NR1H4PPARDPPARA
SCHEMBL3306183 0.77 NR1H4 (0.38) FFAR4FFAR1NR1H4PPARDPPARA
SCHEMBL13715026 0.76 GAA (0.38) GAAMAOAMAOBALDH1A1LMNA
SCHEMBL16182319 0.75 FFAR1 (0.39) FFAR4FFAR1NR1H4RXRARXRB
SCHEMBL7530634 0.75 FFAR1 (0.39) FFAR4FFAR1NR1H4RXRARXRB
SCHEMBL768820 0.74 GAA (0.41) GAAMAOAMAOBALDH1A1LMNA
SCHEMBL29353898 0.74 GAA (0.41) GAAMAOAMAOBALDH1A1LMNA
SCHEMBL6861476 0.72 FFAR4 (0.37) FFAR4FFAR1NR1H4PPARDPPARA
SCHEMBL7794810 0.72 HSPA5 (0.57) GAARXRARXRBRXRGMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111315701-B Water-blocking system comprising fibers coated with a liquid radiation curable superabsorbent polymer composition 科思创(荷兰)有限公司 2022-10-14 CN disclosed