SCHEMBL31098655

SCHEMBL31098655

O=C(O)CCC(CCc1ccc(C(F)(F)F)cc1)CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.55
PTGFR P43088 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
FFAR4 Q5NUL3 3/20 0.47
PDPK1 O15530 1/20 0.47
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46
TBXAS1 P24557 1/20 0.45
FDFT1 P37268 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
SRD5A2 P31213 1/20 0.43

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
SCHEMBL117230 0.83 FFAR1 (0.73) FFAR1HDAC1HDAC8FFAR4PDPK1
SCHEMBL1454387 0.80 FFAR1 (0.60) FFAR1PTGFRHDAC1HDAC8PDPK1
SCHEMBL23671758 0.79 FFAR1 (0.50) FFAR1PTGFRHDAC1HDAC8FFAR4
SCHEMBL4037431 0.78 HDAC1 (0.59) FFAR1PTGFRHDAC1HDAC8PDPK1
Hydrochloric Acid SCHEMBL2763476 0.78 FFAR1 (0.59) FFAR1PTGFRHDAC1HDAC8PDPK1
SCHEMBL4655074 0.77 MMP12 (0.62) FFAR1PTGFRHDAC1HDAC8FDFT1
SCHEMBL23176837 0.77 MAPT (0.62) FFAR1PTGFRHDAC1HDAC8PDPK1
SCHEMBL25172817 0.77 MAPT (0.62) FFAR1PTGFRHDAC1HDAC8PDPK1
SCHEMBL13971048 0.76 FFAR1 (0.50) FFAR1FFAR4PSEN1PSEN2APH1B
SCHEMBL21553586 0.75 GRM8 (0.55) FFAR1HDAC1HDAC8FDFT1TAAR1

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-115175894-B Nanomaterial for the preparation of a nanoparticle 盖德治疗有限责任公司 2024-09-06 CN disclosed