SCHEMBL7679499

SCHEMBL7679499

C=CC/C=C(\CCC)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 3/20 0.37
HDAC3 O15379 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
GRIK1 P39086 3/20 0.34
GRIK2 Q13002 2/20 0.34
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
TSHR P16473 3/20 0.32
FAAH O00519 1/20 0.32
EP300 Q09472 1/20 0.31
THRB P10828 1/20 0.31
ALDH1A1 P00352 2/20 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
SCHEMBL2521628 0.88 APEX1 (0.39) GRIK1CES2CES1TSHRFAAH
SCHEMBL4791448 0.88 APEX1 (0.39) GRIK1CES2CES1TSHRFAAH
SCHEMBL7677056 0.86 AKR1B1 (0.43) CES2CES1TSHRFAAHEP300
SCHEMBL7674491 0.85 TSHR (0.46) TSHRFAAHEP300ALDH1A1
SCHEMBL1843576 0.85 TSHR (0.46) TSHRFAAHEP300ALDH1A1
SCHEMBL2522759 0.83 ALDH1A1 (0.37) FFAR3GRIK1GRIK2TSHRALDH1A1
SCHEMBL7679064 0.83 ALDH1A1 (0.37) FFAR3GRIK1GRIK2TSHRALDH1A1
Butane SCHEMBL10765613 0.82 GRIK1 (0.33) GRIK1GRIK2TSHRFAAHEP300
Propane SCHEMBL15303565 0.79 GRIK1 (0.32) GRIK1GRIK2TSHRALDH1A1
SCHEMBL9493661 0.78 GRIK1 (0.50) FFAR3HDAC3HDAC1HDAC2HDAC8

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-6448340-B1 CORE OR INTERMEDIATE LAYER FORMED OF BLEND OF HIGH ACID AND VERY LOW MUODULUS IONOMER (VLMI) RESINS; IMPROVED INITIAL VELOCITY AND RESILENCE JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2002-09-10 US claimed