SCHEMBL16814652

SCHEMBL16814652

CCC(/C=C(\C#N)C(=O)O)OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
CISD1 Q9NZ45 1/20 0.34
SLC16A3 O15427 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
SLC16A1 P53985 1/20 0.34
GPR35 Q9HC97 1/20 0.34
CYP2C9 P11712 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.33
ATM Q13315 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
EGFR P00533 1/20 0.31

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
SCHEMBL1275320 0.84 KDM4E (0.36) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL1274505 0.83 CYP2C9 (0.37) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL5560463 0.80 KDM4E (0.33) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL5912993 0.80 KDM4E (0.33) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL1275104 0.78 POLB (0.36) KDM4ECISD1SLC16A3SLC16A1POLB
SCHEMBL21932803 0.76 CYP2C9 (0.33) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL448846 0.76 KDM4E (0.39) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL9343392 0.76 TSHR (0.36) ALDH1A1LMNA
SCHEMBL13696929 0.76 KDM4E (0.39) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL1274455 0.76 KDM4E (0.39) KDM4ECISD1SLC16A3ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062151-B1 Protein-cyanoacrylate nanoparticles that improve wetting property of materials The United States of America, as represented by The Secretary of Agiculture (US) 2015-06-23 US claimed
US-20210244023-A1 COMPOSITIONS CONTAINING MICROENCAPSULATED ORGANIC COMPOUNDS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2021-08-12 US disclosed
US-9062151-B1 Protein-cyanoacrylate nanoparticles that improve wetting property of materials The United States of America, as represented by The Secretary of Agiculture (US) 2015-06-23 US disclosed