SCHEMBL7188587

SCHEMBL7188587

CCC(OCC(O)CO)=C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
DUSP3 P51452 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
DGKA P23743 1/20 0.38
FAAH O00519 4/20 0.36
USP2 O75604 1/20 0.33
PLA2G2C Q5R387 1/20 0.30

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
SCHEMBL56316 0.79 LMNA (0.43) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL5166839 0.79 TSHR (0.44) LMNA
SCHEMBL5168881 0.79 TSHR (0.44) LMNA
SCHEMBL8744237 0.78 KDM4E (0.42) KDM4EDUSP3MEN1KMT2ALMNA
Propionic Acid SCHEMBL27474994 0.76 LMNA (0.47) KDM4EDUSP3MEN1KMT2ALMNA
Oxalic Acid SCHEMBL28313461 0.76 KDM4E (0.56) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL126032 0.74 ALDH1A1 (0.46) KDM4ELMNA
SCHEMBL222774 0.74 ALDH1A1 (0.46) KDM4ELMNA
Methacrylic Acid SCHEMBL2830657 0.74 KDM4E (0.50) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL8982156 0.73 ACHE (0.36) KMT2ALMNA

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
EP-0747442-B1 Modified aqueous polyurethane dispersions and methods for making same NAT STARCH CHEM INVEST (US) 2003-09-03 EP disclosed
US-5945473-A Modified aqueous polyurethane dispersions and methods for making same NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1999-08-31 US disclosed
EP-0747442-A2 Modified aqueous polyurethane dispersions and methods for making same National Starch and Chemical Investment Holding Corporation (US) 1996-12-11 EP disclosed