SCHEMBL7922839

SCHEMBL7922839

C=C(C)C(=O)OCCCC(C=Cc1ccccc1)OC(=O)C(=C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
POLB P06746 2/20 0.41
HTT P42858 2/20 0.41
APEX1 P27695 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GLA P06280 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
AKR1B10 O60218 1/20 0.34
AKR1B1 P15121 1/20 0.34

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
SCHEMBL3447191 0.86 MEN1 (0.43) TDP1KDM4EMEN1KMT2ATSHR
SCHEMBL11766103 0.85 MEN1 (0.45) TDP1MEN1KMT2ACYP3A4LMNA
SCHEMBL11766109 0.85 MEN1 (0.45) TDP1MEN1KMT2ACYP3A4LMNA
SCHEMBL7136449 0.80 CYP3A4 (0.41) TDP1POLBHTTAPEX1MEN1
SCHEMBL28678088 0.78 MEN1 (0.40) TDP1MEN1KMT2ATSHRCYP3A4
SCHEMBL27939045 0.78 MEN1 (0.40) TDP1HTTMEN1KMT2ACYP3A4
SCHEMBL2120464 0.78 TSHR (0.39) TDP1POLBHTTAPEX1KDM4E
SCHEMBL5864403 0.77 TDP1 (0.47) TDP1POLBHTTAPEX1KDM4E
SCHEMBL27939088 0.76 MEN1 (0.39) TDP1MEN1KMT2ACYP3A4GLA
SCHEMBL2246299 0.76 MEN1 (0.39) TDP1KDM4EMEN1KMT2ATSHR

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
US-6224004-B1 Mill provided with partition within milling chamber MINOLTA CO., LTD. (JP) 2001-05-01 US disclosed