SCHEMBL28001031

SCHEMBL28001031

O=C(c1ccccc1)c1c(O)cccc1CC(O)CCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
BID P55957 4/20 0.38
MCL1 Q07820 4/20 0.38
BCL2L1 Q07817 3/20 0.38
BAK1 Q16611 3/20 0.38
AKR1B1 P15121 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2862151 0.81 AKR1C3 (0.44) GAAALDH1A1L3MBTL1
SCHEMBL29116349 0.78 HSPA5 (0.46) AKR1B1CA12CA2CA9KEAP1
SCHEMBL27536907 0.75 MEN1 (0.48) GAAMCL1KMT2AMEN1USP2
SCHEMBL2864206 0.72 AKR1C3 (0.42) GAAALDH1A1L3MBTL1
SCHEMBL78116 0.72 ALDH1A1 (0.62) GAACA12CA1CA2CA7
SCHEMBL2865284 0.72 KMT2A (0.58) BCL2L1KMT2AALDH1A1
SCHEMBL27677908 0.68 AKR1C3 (0.47) GAAALDH1A1ATMTDP1L3MBTL1
SCHEMBL29379955 0.67 IAPP (0.46) BIDMCL1BCL2L1BAK1AKR1B1
SCHEMBL4292268 0.67 BID (0.76) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL2866352 0.67 AKR1C3 (0.42) GAAMCL1ALDH1A1L3MBTL1

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-104336604-A COMPOSITION FOR POLYUNSATURATED FATTY ACIDS ENCAPSULATION AND PROCESS OF PREPARATION CORN PRODUCTS DEV INC 2015-02-11 CN disclosed