SCHEMBL222155

SCHEMBL222155

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 2/20 0.40
BCHE P06276 9/20 0.39
ACHE P22303 7/20 0.39
EGFR P00533 1/20 0.38
HDAC3 O15379 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL464928 0.92 TDP1 (0.50) TDP1KDM4ETSHRBCHEACHE
SCHEMBL10941999 0.86 TDP1 (0.48) TDP1KDM4ETSHRBCHEACHE
Acrylic Acid Methyl Ester SCHEMBL740218 0.86 TDP1 (0.45) TDP1KDM4ETSHRBCHEACHE
SCHEMBL12273712 0.85 TDP1 (0.43) TDP1KDM4ETSHRBCHEACHE
SCHEMBL10940584 0.85 TDP1 (0.47) TDP1KDM4ETSHRBCHEACHE
SCHEMBL10771896 0.84 TDP1 (0.46) TDP1KDM4ETSHRBCHEACHE
Acrylic Acid Ethyl Ester SCHEMBL11604011 0.84 TDP1 (0.43) TDP1KDM4ETSHRBCHEACHE
Methacrylic Acid SCHEMBL390016 0.84 KDM4E (0.49) TDP1KDM4ETSHRBCHEACHE
SCHEMBL29394 0.84 KDM4E (0.53) TDP1KDM4ETSHRBCHEACHE
SCHEMBL10524492 0.83 ALDH1A1 (0.46) TDP1KDM4ETSHRBCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088252-B2 Salt-sensitive cationic polymeric binders for nonwoven webs and method of making the same CELANESE INTERNATIONAL CORPORATION 2012-01-03 US disclosed
EP-2250203-A1 SALT-SENSITIVE CATIONIC POLYMERIC BINDERS FOR NONWOVEN WEBS AND METHOD OF MAKING THE SAME Celanese International Corporation (US) 2010-11-17 EP disclosed
WO-2009111000-A1 SALT-SENSITIVE CATIONIC POLYMERIC BINDERS FOR NONWOVEN WEBS AND METHOD OF MAKING THE SAME CELANESE INTERNATIONAL CORPORATION (US) 2009-09-11 WO disclosed
US-20090218059-A1 Salt-sensitive cationic polymeric binders for nonwoven webs and method of making the same CELANESE INTERNATIONAL CORPORATION 2009-09-03 US disclosed