SCHEMBL11459409

SCHEMBL11459409

CCCOCCOCCOCCOCC(C)O

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.90
TDP1 Q9NUW8 1/20 0.65
USP2 O75604 1/20 0.42
HTT P42858 2/20 0.41
SPHK1 Q9NYA1 1/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 2/20 0.36
MAPT P10636 2/20 0.35
LPAR5 Q9H1C0 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRB2 P07550 2/20 0.32
ADRB1 P08588 2/20 0.32
FYN P06241 1/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL15119443 1.00 HSD17B10 (0.90) HSD17B10TDP1USP2HTTSPHK1
SCHEMBL17227471 1.00 HSD17B10 (0.90) HSD17B10TDP1USP2HTTSPHK1
SCHEMBL16351065 1.00 HSD17B10 (0.90) HSD17B10TDP1USP2HTTSPHK1
SCHEMBL9637969 0.95
SCHEMBL21356623 0.95 HSD17B10 (1.00) HSD17B10TDP1USP2HTTSPHK1
SCHEMBL17164541 0.95
SCHEMBL34792 0.95
SCHEMBL5961592 0.92 HSD17B10 (0.85) HSD17B10TDP1USP2HTTSPHK1
SCHEMBL30725962 0.92
Isopropyl Alcohol SCHEMBL1060955 0.92 HSD17B10 (0.95) HSD17B10TDP1USP2HTTSPHK1

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
US-4192759-A Automotive brake fluid compositions including semipolar borates and heteroborates TOHO CHEMICAL INDUSTRY CO., LTD. (JP) 1980-03-11 US disclosed