SCHEMBL8422948

SCHEMBL8422948

CC(O)COCCN(CCOCC(C)O)CCOCC(C)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.58
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 1/20 0.37
SPHK1 Q9NYA1 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
FYN P06241 1/20 0.32
MAOA P21397 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 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
SCHEMBL5709862 0.91 HSD17B10 (0.50) HSD17B10TDP1MAPK1SPHK1
SCHEMBL17244862 0.91 HSD17B10 (0.54) HSD17B10TDP1MAPK1SPHK1BLM
SCHEMBL11124129 0.89 HSD17B10 (0.58) HSD17B10TDP1MAPK1SPHK1MEN1
SCHEMBL4537695 0.83 HSD17B10 (0.56) HSD17B10TDP1MAPK1SPHK1PMP22
SCHEMBL22184548 0.83 HSD17B10 (0.56) HSD17B10TDP1MAPK1SPHK1PMP22
SCHEMBL5709865 0.81 HSD17B10 (0.54) HSD17B10TDP1MAPK1SPHK1FYN
SCHEMBL6555797 0.81 HSD17B10 (0.74) HSD17B10TDP1MAPK1SPHK1FYN
SCHEMBL2065402 0.79 HSD17B10 (0.33) HSD17B10BLMPMP22MEN1POLB
SCHEMBL170070 0.78 HSD17B10 (0.70) HSD17B10TDP1MAPK1SPHK1FYN
SCHEMBL11739597 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948502-A1 CYANOPHOSPHORUS COMPOUNDS AND THEIR PREPARATION MONSANTO COMPANY (US) 1999-10-13 EP disclosed
WO-1998029419-A1 CYANOPHOSPHORUS COMPOUNDS AND THEIR PREPARATION MONSANTO COMPANY (US) 1998-07-09 WO disclosed
EP-0755185-A1 MICROBICIDAL AGENTS BASED ON DIBROMO-THIOPHENE-CARBOXYLIC ACID DERIVATIVES BAYER AG (DE) 1997-01-29 EP disclosed
EP-0707578-A1 2-OXIMINO-2-THIENYL-ACETIC ACID DERIVATIVES BAYER AG (DE) 1996-04-24 EP disclosed
WO-1995027397-A1 MICROBICIDAL AGENTS BASED ON DIBROMO-THIOPHENE-CARBOXYLIC ACID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1995-10-19 WO disclosed