SCHEMBL28340474

SCHEMBL28340474

O=C(O)C(=O)CC(=O)C(F)(F)F.[Hf]

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.39
PLOD2 O00469 3/20 0.38
CES1 P23141 6/20 0.37
PLOD3 O60568 2/20 0.36
PLOD1 Q02809 2/20 0.36
ERCC5 P28715 3/20 0.36
FEN1 P39748 3/20 0.36
OR51E2 Q9H255 1/20 0.35
FAAH O00519 8/20 0.34
CES2 O00748 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2545088 0.97 PTPN1 (0.41) PTPN1PLOD2CES1PLOD3PLOD1
SCHEMBL4323475 0.95 PTPN1 (0.39) PTPN1PLOD2CES1PLOD3PLOD1
SCHEMBL31622638 0.80 PLOD2 (0.44) PLOD2CES1PLOD3PLOD1FAAH
SCHEMBL9292006 0.77 PTPN1 (0.38) PTPN1ERCC5FEN1OR51E2
SCHEMBL183178 0.76 PLOD2 (0.46) PLOD2CES1PLOD3PLOD1FAAH
SCHEMBL1059262 0.75 LDHA (0.47) PLOD2CES1PLOD3PLOD1FAAH
SCHEMBL9671072 0.74 PLOD2 (0.38) PLOD2CES1PLOD3PLOD1FAAH
SCHEMBL184054 0.74 PLOD2 (0.38) PLOD2CES1PLOD3PLOD1FAAH
SCHEMBL9510912 0.74 PLOD2 (0.38) PLOD2CES1PLOD3PLOD1FAAH
SCHEMBL5787604 0.74 PLOD2 (0.38) PLOD2CES1PLOD3PLOD1FAAH

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-105473640-B Method for manufacturing polyurethane, polyurethane manufactured thereby, and coating composition comprising the polyurethane 陶氏环球技术有限责任公司 2019-12-31 CN disclosed