SCHEMBL28001032

SCHEMBL28001032

CCCCc1c(O)cc(O)c(C(=O)c2ccccc2)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SLC37A4 O43826 1/20 0.43
ELANE P08246 1/20 0.43
CTRC Q99895 1/20 0.43
BCL2L1 Q07817 1/20 0.43
FFAR1 O14842 2/20 0.42
PLA2G2A P14555 1/20 0.42
PLA2G5 P39877 1/20 0.42
EYA3 Q99504 2/20 0.41
PTPN1 P18031 1/20 0.41
KDM4E B2RXH2 2/20 0.41
PKM P14618 1/20 0.41
TTR P02766 1/20 0.41

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
SCHEMBL28743430 0.80 BCL2 (0.40) HPGDELANEBCL2L1ALDH1A1L3MBTL1
SCHEMBL29242840 0.80 BCL2 (0.40) HPGDMAPK1HTTBCL2L1KDM4E
SCHEMBL30951050 0.80 BCL2 (0.40) HPGDMAPK1HTTBCL2L1KDM4E
SCHEMBL29575381 0.80 BCL2 (0.40) HPGDELANEBCL2L1ALDH1A1L3MBTL1
SCHEMBL28754858 0.79 MAPT (0.47) CES2CES1HPGDMAPK1HTT
SCHEMBL27607231 0.79 KAT8 (0.48) CES2CES1HPGDBCL2L1KDM4E
SCHEMBL5477374 0.79 KAT8 (0.48) CES2CES1HPGDBCL2L1KDM4E
SCHEMBL5480015 0.79 KAT8 (0.48) CES2CES1HPGDBCL2L1KDM4E
SCHEMBL27621974 0.78 BCL2 (0.49) CES2CES1HPGDMAPK1HTT
SCHEMBL30550350 0.77 ALDH1A1 (0.56) HPGDNPC1MAPK1HTTRAB9A

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