SCHEMBL9620679

SCHEMBL9620679

O=C(O)C(Br)(Br)CCCCC(Br)(Br)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
CPT2 P23786 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACLY P53396 1/20 0.34
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
ARG2 P78540 6/20 0.32
ARG1 P05089 5/20 0.32
TSHR P16473 2/20 0.30
ODC1 P11926 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 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
SCHEMBL10618386 0.97 FFAR1 (0.39) FFAR1CPT2TDP1ACLYACACB
SCHEMBL9620605 0.97 FFAR1 (0.39) FFAR1CPT2TDP1ACLYACACB
SCHEMBL9620492 0.97 FFAR1 (0.39) FFAR1CPT2TDP1ACLYACACB
SCHEMBL9620386 0.97 FFAR1 (0.39) FFAR1CPT2TDP1ACLYACACB
SCHEMBL9620466 0.97 FFAR1 (0.39) FFAR1CPT2TDP1ACLYACACB
SCHEMBL3666127 0.87 LMNA (0.52) FFAR1TDP1TSHRALDH1A1
SCHEMBL16860500 0.85 CES2 (0.45) FFAR1TDP1TSHRALDH1A1
SCHEMBL10736732 0.85 CES2 (0.45) FFAR1TDP1TSHRALDH1A1
SCHEMBL4812713 0.84 LMNA (0.48) FFAR1TDP1TSHRALDH1A1
SCHEMBL11755736 0.84 AKR1B1 (0.39) FFAR1TDP1TSHRALDH1A1

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