SCHEMBL28118916

SCHEMBL28118916

O=C(O)Oc1cccc2ccc3c4ccc5ccccc5c4ccc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 3/20 0.47
CYP1A2 P05177 2/20 0.47
THRB P10828 1/20 0.47
HPRT1 P00492 1/20 0.45
KDM4E B2RXH2 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
GAA P10253 2/20 0.44
PGR P06401 1/20 0.44
PTGS1 P23219 1/20 0.44
MAPK1 P28482 1/20 0.44
ERBB2 P04626 1/20 0.43
FYN P06241 1/20 0.43
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
AHR P35869 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL27807134 0.88 HSD17B10 (0.51) ALDH1A1HSD17B10HPGDHPRT1KDM4E
SCHEMBL29733229 0.83 TYMS (0.45) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL9350047 0.83 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL10594960 0.82 KMT2A (0.45) ALDH1A1HSD17B10HPGDCYP1A2KDM4E
SCHEMBL28099825 0.82 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL29425614 0.82 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL2587831 0.81 KDM4E (0.39) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL399266 0.81 ALDH1A1 (0.62) ALDH1A1HSD17B10HPGDKDM4ETDP1
SCHEMBL1957981 0.80 KDM4E (0.46) ALDH1A1HSD17B10HPGDCYP1A2KDM4E
SCHEMBL27548333 0.79 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDKDM4ETDP1

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-106414422-A Apparatus and method for producing cyclic carbonate 丸善石油化学株式会社 2017-02-15 CN disclosed