SCHEMBL20377697

SCHEMBL20377697

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
THRB P10828 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31

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
SCHEMBL3279128 1.00 FFAR3 (0.32) FFAR3ALDH1A1TDP1THRBFNTA
SCHEMBL10814074 0.85 FFAR3 (0.31) FFAR3ALDH1A1TDP1THRBFNTA
SCHEMBL3278030 0.83 FNTA (0.37) FFAR3THRBFNTAFNTBPGGT1B
SCHEMBL3284739 0.80 FNTA (0.43) ALDH1A1TDP1THRBFNTAFNTB
SCHEMBL4409368 0.80
SCHEMBL44909 0.75 ALDH1A1 (0.36) FFAR3ALDH1A1TDP1THRBFNTA
SCHEMBL109778 0.75 ALDH1A1 (0.36) FFAR3ALDH1A1TDP1THRBFNTA
Acetic Acid SCHEMBL6238297 0.73 FFAR3 (0.35) FFAR3ALDH1A1TDP1THRBFNTA
SCHEMBL119068 0.73 LMNA (0.36) FFAR3ALDH1A1TDP1THRBFNTA
Hydrochloric Acid SCHEMBL5177423 0.73 ALDH1A1 (0.35) FFAR3ALDH1A1TDP1THRBFNTA

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-2951216-B1 ANTI-MICROBIAL POLYMER FACHHOCHSCHULE MUENSTER (DE) 2018-07-18 EP claimed
EP-2951216-B1 ANTI-MICROBIAL POLYMER FACHHOCHSCHULE MUENSTER (DE) 2018-07-18 EP disclosed