SCHEMBL7666343

SCHEMBL7666343

CCC/C(=C/C(N)=O)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HDAC3 O15379 4/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
FFAR3 O14843 3/20 0.36
CTSD P07339 1/20 0.36
TSHR P16473 1/20 0.35
FAAH O00519 3/20 0.34
SOAT1 P35610 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL5285157 1.00 POLB (0.38) POLBCES2CES1HDAC3HDAC1
Ammonia Solution, Strong SCHEMBL2389746 0.98 POLB (0.36) POLBCES2CES1HDAC3HDAC1
SCHEMBL381319 0.86 CES1 (0.42) POLBCES2CES1FAAHSOAT1
SCHEMBL28203317 0.86 CES1 (0.42) POLBCES2CES1FAAHSOAT1
SCHEMBL381320 0.86 CES1 (0.42) POLBCES2CES1FAAHSOAT1
SCHEMBL3677658 0.84 FFAR3 (0.40) POLBCES2CES1HDAC3HDAC1
SCHEMBL28313147 0.84 HDAC3 (0.40) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL3677661 0.84 FFAR3 (0.40) POLBCES2CES1HDAC3HDAC1
SCHEMBL377345 0.84 HDAC3 (0.40) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL7564416 0.83 FAAH (0.50) CES2CES1TSHRFAAHSOAT1

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-2223995-B2 CLEANING AGENT FOR REMOVING PAINT LAYERS ON SURFACES, METHOD FOR MANUFACTURING THE AGENT AND CLEANING METHOD INTELLIGENT FLUIDS GMBH (DE) 2024-12-11 EP disclosed
US-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 US disclosed