SCHEMBL7979746

SCHEMBL7979746

C=CC=C(C#N)C(=O)OCCOCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.49
CYP2C9 P11712 2/20 0.44
MAPT P10636 7/20 0.43
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
RAB9A P51151 5/20 0.43
GAA P10253 4/20 0.43
NPC1 O15118 4/20 0.43
USP2 O75604 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
ALDH1A1 P00352 6/20 0.42
TSHR P16473 2/20 0.42
DNM1 Q05193 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
SCHEMBL9311829 0.90 TP53 (0.42) THRBCYP2C9MAPTMEN1KMT2A
SCHEMBL10359458 0.90 TP53 (0.42) THRBCYP2C9MAPTMEN1KMT2A
SCHEMBL10359421 0.88 DNM1 (0.44) THRBCYP2C9MAPTMEN1KMT2A
SCHEMBL7909313 0.88 DNM1 (0.44) THRBCYP2C9MAPTMEN1KMT2A
SCHEMBL11121824 0.85 CYP2C9 (0.44) THRBCYP2C9MAPTMEN1KMT2A
SCHEMBL7901288 0.85 CYP2C9 (0.59) THRBCYP2C9MAPTMEN1KMT2A
SCHEMBL7901285 0.85 CYP2C9 (0.59) THRBCYP2C9MAPTMEN1KMT2A
SCHEMBL11123619 0.83 TSHR (0.47) THRBCYP2C9MAPTMEN1KMT2A
SCHEMBL5845493 0.83 THRB (0.46) THRBCYP2C9MAPTMEN1KMT2A
SCHEMBL7901291 0.82 DNM1 (0.47) THRBCYP2C9MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6291544-B1 STORAGE STABILITY; FOR BONDING METALS, PLASTICS, RUBBERS, GLASS, WOOD, PAPER, LIVE, SOFT OR BONE TISSUE CHEMENCE, INC. 2001-09-18 US disclosed