SCHEMBL10885198

SCHEMBL10885198

O=COCCOCC(O)CO

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
LMNA P02545 3/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.31
AKR1B1 P15121 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AGTR1 P30556 1/20 0.31
CYP1A2 P05177 1/20 0.31
KDM4E B2RXH2 1/20 0.30
DUSP3 P51452 1/20 0.30
MEN1 O00255 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
SCHEMBL1881943 0.82 USP2 (0.60) USP2LMNAALDH1A1HSD17B10SMN1; SMN2
SCHEMBL13564657 0.81 USP2 (0.38) USP2LMNAALDH1A1AKR1B1KDM4E
SCHEMBL13564716 0.81 USP2 (0.38) USP2LMNAALDH1A1AKR1B1KDM4E
SCHEMBL8950619 0.80
SCHEMBL180216 0.80
SCHEMBL13127977 0.80
Water SCHEMBL28291844 0.79 USP2 (0.58) USP2LMNAALDH1A1HSD17B10SMN1; SMN2
SCHEMBL6808502 0.79 USP2 (0.58) USP2LMNAALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4266733 0.79 USP2 (0.58) USP2LMNAALDH1A1HSD17B10SMN1; SMN2
SCHEMBL854679 0.78 USP2 (0.48) USP2LMNAALDH1A1HSD17B10AKR1B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0078699-B1 METHOD OF RETARDING CORROSION IN A PETROLEUM TREATMENT OR PROCESSING OPERATION EXXON RESEARCH AND ENGINEERING COMPANY (US) 1986-02-19 EP disclosed
US-4396492-A Method for retarding corrosion in petroleum processing operation using N-methyl pyrrolidone EXXON RESEARCH AND ENGINEERING CO. 1983-08-02 US disclosed
EP-0078699-A2 Method of retarding corrosion in a petroleum treatment or processing operation EXXON RESEARCH AND ENGINEERING COMPANY (US) 1983-05-11 EP disclosed