SCHEMBL9333754

SCHEMBL9333754

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
DUSP3 P51452 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
DGKA P23743 1/20 0.38
FAAH O00519 4/20 0.36
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.32
USP2 O75604 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
Phosphoric Acid SCHEMBL2993370 0.94 KDM4E (0.36) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL11117444 0.92 KDM4E (0.37) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL11117446 0.92 KDM4E (0.41) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL28367146 0.84 KDM4E (0.39) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL14945 0.83 LMNA (0.43) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL28667284 0.83 KDM4E (0.38) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL28567440 0.83 DGKA (0.46) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL28567442 0.83 USP2 (0.35) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL28843656 0.82 CYP2D6 (0.36) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL9352668 0.81 TGFBR1 (0.35) CYP2D6CYP2C19

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
EP-0596023-A1 PAINT COMPOSITION J.C. HEMPEL'S SKIBSFARVE-FABRIK A/S (DK) 1994-05-11 EP disclosed
WO-1993002146-A1 PAINT COMPOSITION J.C. HEMPEL'S SKIBSFARVE-FABRIK A/S (DK) 1993-02-04 WO disclosed