SCHEMBL28054517

SCHEMBL28054517

O=C(O)NC(O)CCCO

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
CAMK2A Q9UQM7 1/20 0.35
GPR84 Q9NQS5 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8779996 0.85
SCHEMBL28853943 0.79 PTPN1 (0.33) PTPN1
SCHEMBL1701005 0.79 CA2 (0.45) GPR84FFAR1FFAR4
SCHEMBL3667538 0.76 MGAM (0.40) ALDH1A1KMT2A
SCHEMBL5146478 0.74 PTPN1 (0.33) PTPN1CAMK2AGPR84FFAR1FFAR4
SCHEMBL3857926 0.74 TAS1R3 (0.39) PTPN1CAMK2AGPR84FFAR1FFAR4
SCHEMBL20241604 0.74 TAS1R3 (0.39) PTPN1CAMK2AGPR84FFAR1FFAR4
SCHEMBL5148636 0.74 PTPN1 (0.33) PTPN1CAMK2AGPR84FFAR1FFAR4
SCHEMBL2223572 0.74 PTPN1 (0.33) PTPN1CAMK2AGPR84FFAR1FFAR4
SCHEMBL3285952 0.74

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-103421846-B The application in gene therapy of the polymine of diurethane crosslinking 中国科学院上海生命科学研究院 2016-06-22 CN disclosed