SCHEMBL8048193

SCHEMBL8048193

CCCC(CCCCCCCCC=O)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
GPR84 Q9NQS5 4/20 0.44
FAAH O00519 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
TOP1 P11387 2/20 0.40
ALDH1A1 P00352 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PPARG P37231 2/20 0.37
GPR132 Q9UNW8 1/20 0.37

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
SCHEMBL8065335 0.98 TSHR (0.44) TSHRGPR84FAAHTRPV1TOP1
SCHEMBL7613427 0.87 GPR84 (0.38) TSHRGPR84FAAHTRPV1FFAR1
SCHEMBL7933234 0.85 GPR84 (0.37) TSHRGPR84TOP1ALDH1A1
SCHEMBL7613804 0.85 HIF1A (0.38) TSHRGPR84FAAHTRPV1
SCHEMBL5354813 0.85 GPR84 (0.52) GPR84ALDH1A1FFAR1FFAR4
SCHEMBL30525712 0.85 TOP1 (0.59) GPR84FAAHTOP1FFAR1FFAR4
SCHEMBL23249652 0.83 GPR84 (0.62) TSHRGPR84ALDH1A1FFAR1FFAR4
SCHEMBL8133996 0.83 GPR84 (0.62) TSHRGPR84ALDH1A1FFAR1FFAR4
SCHEMBL5878852 0.83 GPR84 (0.62) TSHRGPR84ALDH1A1FFAR1FFAR4
SCHEMBL630334 0.83 GPR84 (0.62) TSHRGPR84ALDH1A1FFAR1FFAR4

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-1047677-A2 Process for the preparation of derivatives of 1,4,7,10-tetraazacyclododecane-1,4-diacetic acid BRACCO S.p.A. (IT) 2000-11-02 EP claimed
WO-1999035133-A2 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID DERIVATIVES AS CHELATING AGENTS BRACCO S.P.A. (IT) 1999-07-15 WO claimed
EP-1047677-A2 Process for the preparation of derivatives of 1,4,7,10-tetraazacyclododecane-1,4-diacetic acid BRACCO S.p.A. (IT) 2000-11-02 EP disclosed
WO-1999035133-A2 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID DERIVATIVES AS CHELATING AGENTS BRACCO S.P.A. (IT) 1999-07-15 WO disclosed