SCHEMBL5386590

SCHEMBL5386590

C=C(C)C(=O)OCCCC.C=C(CC=Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.47
TSHR P16473 4/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 2/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
PAM P19021 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
HDAC3 O15379 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BCHE P06276 4/20 0.38
MAOB P27338 1/20 0.37
ACHE P22303 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
EGFR P00533 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
SCHEMBL1377626 0.99 TDP1 (0.46) TDP1TSHRKDM4EPOLBAPEX1
Methacrylic Acid SCHEMBL27844336 0.94 TDP1 (0.43) TDP1TSHRKDM4EPOLBAPEX1
SCHEMBL7892714 0.91 TDP1 (0.48) TDP1TSHRKDM4EPOLBAPEX1
SCHEMBL2462249 0.90 TSHR (0.42) TDP1TSHRKDM4EPOLBAPEX1
SCHEMBL2499528 0.90 TSHR (0.42) TDP1TSHRKDM4EPOLBAPEX1
SCHEMBL455010 0.89 KDM4E (0.51) TDP1TSHRKDM4EPOLBPAM
SCHEMBL9701897 0.88 KDM4E (0.45) TDP1TSHRKDM4EPOLBPAM
SCHEMBL7199351 0.88 MEN1 (0.49) KDM4EPOLBPAML3MBTL1MEN1
Methacrylic Acid SCHEMBL12490542 0.87 TSHR (0.49) TDP1TSHRKDM4EPAML3MBTL1
SCHEMBL6765656 0.86 KDM4E (0.43) TDP1TSHRKDM4EPOLBPAM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176249-B2 Aqueous ink composition, manufacturing method therefor and image forming method using the same FUJI XEROX CO., LTD. (JP) 2007-02-13 US disclosed
US-20040048973-A1 Aqueous ink composition, manufacturing method therefor and image forming method using the same FUJI XEROX CO., LTD. (JP) 2004-03-11 US disclosed