SCHEMBL9306774

SCHEMBL9306774

CC(C(=O)O)=C(Br)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
NFKB1 P19838 1/20 0.30
TRPA1 O75762 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
SCHEMBL8081158 1.00 FFAR3 (0.38) FFAR3LCKFYNLMNATHRB
SCHEMBL4454082 0.84 TSHR (0.35) FFAR3LCKFYN
SCHEMBL4454078 0.84 TSHR (0.35) FFAR3LCKFYN
SCHEMBL3864019 0.76
SCHEMBL9812361 0.76
SCHEMBL1430512 0.76
SCHEMBL3789960 0.76
SCHEMBL7046631 0.76
SCHEMBL105998 0.73 FFAR3 (0.55) FFAR3LCKFYNLMNATHRB
SCHEMBL10661655 0.73 FFAR3 (0.55) FFAR3LCKFYNLMNATHRB

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
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed