SCHEMBL11528645

SCHEMBL11528645

C=C(C)C(=O)OCCC(CC)CCCCC

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.62
THRB P10828 1/20 0.46
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CA2 P00918 3/20 0.41
ALDH1A1 P00352 3/20 0.37
ZDHHC7 Q9NXF8 1/20 0.37
LMNA P02545 1/20 0.36
FAAH O00519 1/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL20148192 0.98 TSHR (0.65) TSHRTHRBCYP3A4TDP1ATM
SCHEMBL11528248 0.95 TSHR (0.59) TSHRTHRBCYP3A4TDP1ATM
SCHEMBL651325 0.92 TSHR (0.75) TSHRTHRBCYP3A4TDP1ATM
SCHEMBL4313868 0.90 THRB (0.55) TSHRTHRBCYP3A4TDP1ATM
SCHEMBL2817127 0.89 TSHR (0.64) TSHRTHRBCYP3A4TDP1ATM
SCHEMBL22567351 0.88 TSHR (0.62) TSHRTHRBCYP3A4TDP1ATM
SCHEMBL11584823 0.88 TSHR (0.53) TSHRTHRBCYP3A4TDP1ATM
SCHEMBL11528456 0.87 TSHR (0.62) TSHRTHRBCYP3A4TDP1ATM
Acrylic Acid SCHEMBL27262731 0.87 TSHR (0.51) TSHRTHRBCYP3A4TDP1ATM
Acrylic Acid SCHEMBL27702562 0.87 TSHR (0.51) TSHRTHRBCYP3A4TDP1ATM

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
US-4150945-A AND AN AMINO ACID CURING AGENT SANYO TRADING CO., LTD. (JP) 1979-04-24 US disclosed
US-4069214-A ACRYLIC ESTER POLYMER, AMINO ACID CURING AGENT, COATING METALS, BONDING PLYWOOD, FINISHING TEXTILES SANYO TRADING CO., LTD. (JA) 1978-01-17 US disclosed