SCHEMBL9621077

SCHEMBL9621077

O=C(O)C(F)(Br)CCCCCCCCCCCCC(F)(Br)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
CPT2 P23786 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CES2 O00748 1/20 0.35
ACLY P53396 1/20 0.35
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
ODC1 P11926 2/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FAAH O00519 3/20 0.31
CES1 P23141 3/20 0.31
ARG1 P05089 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
SCHEMBL27272864 0.79
SCHEMBL27268588 0.79
SCHEMBL8064464 0.77 ALDH1A1 (0.40) TDP1ACLYMEN1KMT2A
SCHEMBL9620466 0.72 FFAR1 (0.39) FFAR1CPT2TDP1ACLYACACB
SCHEMBL15948817 0.72 CES2 (0.48) FFAR1CPT2TDP1CES2ACLY
SCHEMBL9620492 0.72 FFAR1 (0.39) FFAR1CPT2TDP1ACLYACACB
SCHEMBL10618386 0.72 FFAR1 (0.39) FFAR1CPT2TDP1ACLYACACB
SCHEMBL9620605 0.72 FFAR1 (0.39) FFAR1CPT2TDP1ACLYACACB
SCHEMBL9620386 0.72 FFAR1 (0.39) FFAR1CPT2TDP1ACLYACACB
SCHEMBL27266167 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279978-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING ALPHA-HALOGENATED DICARBOXYLIC ACIDS Epis S.A. (CH) 1992-01-02 EP disclosed
US-4908385-A Pharmaceuticals EPIS S.A. (CH) 1990-03-13 US disclosed
EP-0279978-A1 Pharmaceutical compositions containing alpha-halogenated dicarboxylic acids Epis S.A. (CH) 1988-08-31 EP disclosed
WO-1988002746-A1 MEDICAMENTS CONTAINING ALPHA-HALOGENATED DICARBOXYLIC ACIDS EPIS S.A. (CH) 1988-04-21 WO disclosed