SCHEMBL28787075

SCHEMBL28787075

COOC(=O)CCCCCCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.58
ALDH1A1 P00352 3/20 0.56
LMNA P02545 2/20 0.55
NFKB1 P19838 1/20 0.55
PMP22 Q01453 1/20 0.55
GPR84 Q9NQS5 8/20 0.50
PPARG P37231 7/20 0.50
PPARD Q03181 7/20 0.50
PPARA Q07869 7/20 0.50
HDAC11 Q96DB2 5/20 0.50
PTPN1 P18031 3/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
MEN1 O00255 1/20 0.50
ESR1 P03372 1/20 0.50

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
SCHEMBL3446866 1.00 TSHR (0.58) TSHRALDH1A1LMNANFKB1PMP22
SCHEMBL3446322 1.00 TSHR (0.58) TSHRALDH1A1LMNANFKB1PMP22
SCHEMBL3446838 1.00 TSHR (0.58) TSHRALDH1A1LMNANFKB1PMP22
SCHEMBL3446330 0.98 TSHR (0.60) TSHRALDH1A1LMNANFKB1PMP22
SCHEMBL3447339 0.93 TSHR (0.67) TSHRALDH1A1LMNANFKB1PMP22
Hydrochloric Acid SCHEMBL31163979 0.91 TSHR (0.64) TSHRALDH1A1LMNANFKB1PMP22
SCHEMBL20384143 0.91 TSHR (0.50) TSHRALDH1A1LMNAKMT2A
SCHEMBL28016992 0.85 TSHR (0.67) TSHRALDH1A1LMNANFKB1PMP22
SCHEMBL11428551 0.85 TSHR (0.67) TSHRALDH1A1LMNANFKB1PMP22
SCHEMBL11430441 0.85 TSHR (0.67) TSHRALDH1A1LMNANFKB1PMP22

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-114479845-A Carbon dot fluorescent probe with lipophilicity and preparation method and application thereof 华南农业大学 2022-05-13 CN disclosed