SCHEMBL4647751

SCHEMBL4647751

CCOC(=O)c1ccc(OC(=O)CCCO)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.57
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 7/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 3/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
MGLL Q99685 1/20 0.46
POLB P06746 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL4645001 0.96 HSD17B2 (0.56) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4647998 0.92 HSD17B2 (0.59) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4644367 0.89 HSD17B2 (0.56) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4642270 0.89 HSD17B2 (0.56) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4644621 0.88 HSD17B2 (0.54) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4641813 0.87 HSD17B2 (0.62) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4644009 0.86 HSD17B2 (0.58) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4647761 0.86 HSD17B2 (0.62) HSD17B2ALDH1A1LMNAKMT2AMEN1
SCHEMBL4642451 0.86 HSD17B2 (0.58) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4643562 0.83 HSD17B2 (0.61) HSD17B2NPC1RAB9ASMN1; SMN2MAPT

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-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed