SCHEMBL9801593

SCHEMBL9801593

OCCCCCCCCCCCCCCCCNCCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.44
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA9 Q16790 4/20 0.44
TSHR P16473 3/20 0.40
CYP1A2 P05177 3/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
F13A1 P00488 2/20 0.40
ALOX15 P16050 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CYP2C19 P33261 2/20 0.40
CA5A P35218 2/20 0.40
THPO P40225 2/20 0.40
CA7 P43166 2/20 0.40
CA14 Q9ULX7 2/20 0.40

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
SCHEMBL9801736 1.00 CA2 (0.44) CA2CA12CA1CA9TSHR
SCHEMBL9801337 1.00 CA2 (0.44) CA2CA12CA1CA9TSHR
SCHEMBL9801640 1.00 CA2 (0.44) CA2CA12CA1CA9TSHR
SCHEMBL9801795 1.00 CA2 (0.44) CA2CA12CA1CA9TSHR
SCHEMBL9801537 1.00 CA2 (0.44) CA2CA12CA1CA9TSHR
SCHEMBL9801743 1.00 CA2 (0.44) CA2CA12CA1CA9TSHR
SCHEMBL9801077 1.00 CA2 (0.44) CA2CA12CA1CA9TSHR
SCHEMBL9801304 1.00 CA2 (0.44) CA2CA12CA1CA9TSHR
SCHEMBL9801792 1.00 CA2 (0.44) CA2CA12CA1CA9TSHR
SCHEMBL9801763 1.00 CA2 (0.44) CA2CA12CA1CA9TSHR

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-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US disclosed