SCHEMBL7724902

SCHEMBL7724902

C=CCOCC=C.CC(CO)=C(CO)CO

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL7724904 0.84 MEN1 (0.32) CA1CA2MEN1POLBKMT2A
Alcohol SCHEMBL45595 0.75 MEN1 (0.46) CA1CA2MEN1POLBKMT2A
Methyl Alcohol SCHEMBL6673394 0.74
SCHEMBL985720 0.74
SCHEMBL28704422 0.73 BTN3A1 (0.40) CA1CA2MEN1POLBKMT2A
Acetone SCHEMBL28037702 0.72 ALDH1A1 (0.40) CA1CA2MEN1POLBKMT2A
SCHEMBL28846727 0.72 CA1 (0.42) CA1CA2MEN1POLBKMT2A
Allyl Alcohol SCHEMBL48547 0.72 TSHR (0.60) CA1CA2MEN1POLBKMT2A
Ethylene Glycol SCHEMBL29606 0.72 CA1 (0.42) CA1CA2MEN1POLBKMT2A
Water SCHEMBL27935959 0.71

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
US-6376702-B1 A 1-ALKENYL ETHER SHOWA DENKO K.K. (JP) 2002-04-23 US disclosed
CN-1079665-C Personal cleansing compositions PROCTER & GAMBLE (US) 2002-02-27 CN disclosed
CN-1130864-A Personal cleansing compositions PROCTER & GAMBLE (US) 1996-09-11 CN disclosed