SCHEMBL29937853

SCHEMBL29937853

O=C(O)CCCCCCC(C(=O)O)N(C(CCCCCCC(=O)O)C(=O)O)C(CCCCCCC(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
LMNA P02545 2/20 0.52
NFKB1 P19838 1/20 0.52
PMP22 Q01453 1/20 0.52
GSTK1 Q9Y2Q3 2/20 0.48
FFAR4 Q5NUL3 2/20 0.47
FFAR1 O14842 2/20 0.47
ALDH1A1 P00352 2/20 0.46
GPR84 Q9NQS5 3/20 0.44
ENPEP Q07075 1/20 0.44
PPARG P37231 3/20 0.43
PPARD Q03181 3/20 0.43
PPARA Q07869 3/20 0.43
HDAC11 Q96DB2 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
TLR2 O60603 1/20 0.43
MEN1 O00255 1/20 0.43
ESR1 P03372 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
SCHEMBL11344676 0.80 FFAR4 (0.50) TSHRLMNANFKB1PMP22FFAR4
SCHEMBL1082587 0.79 FFAR4 (0.44) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL28636792 0.79 FFAR1 (0.47) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL10606131 0.77 FOLH1 (0.59) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL7910158 0.77 TSHR (0.63) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL15346300 0.77 TSHR (0.63) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL6382669 0.77 TSHR (0.63) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL7913017 0.77 TSHR (0.63) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL18491280 0.77 TSHR (0.63) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL10417268 0.77 TSHR (0.63) TSHRLMNANFKB1PMP22GSTK1

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
EP-4326866-A2 TRYPSIN-LIKE SERINE PROTEASES AND USES THEREOF DANISCO US INC (US) 2024-02-28 EP disclosed
WO-2022226158-A2 TRYPSIN-LIKE SERINE PROTEASES AND USES THEREOF DANISCO US INC. (US) 2022-10-27 WO disclosed