SCHEMBL27554122

SCHEMBL27554122

C=CCOCC=C.CCC(O)O.CCC(O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 1/20 0.46
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
CA9 Q16790 1/20 0.38
TSHR P16473 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL5965368 1.00 CA1 (0.46) CA1CA2CA7MEN1KMT2A
Ethylene Glycol SCHEMBL28149610 0.93 CA1 (0.42) CA1CA2CA7MEN1KMT2A
Isopropyl Alcohol SCHEMBL8520886 0.83 CA1 (0.50) CA1CA2CA7MEN1KMT2A
SCHEMBL631276 0.83 CA1 (0.42) CA1CA2CA7MEN1KMT2A
SCHEMBL5927890 0.81 CA1 (0.45) CA1CA2CA7MEN1KMT2A
Alcohol SCHEMBL45595 0.80 MEN1 (0.46) CA1CA2CA7MEN1KMT2A
Methyl Alcohol SCHEMBL6673394 0.80
Propane SCHEMBL892321 0.80 MEN1 (0.50) CA1CA2CA7MEN1KMT2A
SCHEMBL11578580 0.80 CA1 (0.39) CA1CA2CA7MEN1KMT2A
SCHEMBL6888376 0.80 CA1 (0.44) CA1CA2CA7MEN1KMT2A

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
CN-1301588-A Method for producing polyamide reverse osmosis composite film SAEHAN INDUSTRY CO LTD (KR) 2001-07-04 CN disclosed