SCHEMBL4410929

SCHEMBL4410929

CC(C)CCC=CC=CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.52
CNR2 P34972 6/20 0.42
CNR1 P21554 4/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
FAAH O00519 1/20 0.41
TBXAS1 P24557 2/20 0.38
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35

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
SCHEMBL4410926 1.00 PPARA (0.52) PPARACNR2CNR1PPARGPPARD
SCHEMBL16949679 0.85 ALDH1A1 (0.57) PPARACNR2CNR1PPARGALDH1A1
SCHEMBL26624583 0.85 ALDH1A1 (0.57) PPARACNR2CNR1PPARGALDH1A1
SCHEMBL5744794 0.85 ALDH1A1 (0.57) PPARACNR2CNR1PPARGALDH1A1
SCHEMBL16949678 0.85 ALDH1A1 (0.57) PPARACNR2CNR1PPARGALDH1A1
SCHEMBL5744792 0.85 ALDH1A1 (0.57) PPARACNR2CNR1PPARGALDH1A1
SCHEMBL16831513 0.85 TSHR (0.42) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL16057346 0.85 TSHR (0.42) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL689833 0.85 TSHR (0.42) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL30239801 0.83 ALDH1A1 (0.55) PPARACNR2CNR1PPARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635765-B2 Nucleotide sequences coding polypeptide for use in generation of preferential antibiotics; polynucleotide which encodes a domain of a ramoplanin nonribosomal peptide synthetase THALLION PHARMACEUTICALS, INC. (CA) 2009-12-22 US disclosed
US-7078185-B2 Gene encoding a nonribosomal peptide synthetase for the production of ramoplanin ECOPIA BIOSCIENCES INC. (CA) 2006-07-18 US disclosed
US-20050287641-A1 Nucleotide sequences coding polypeptide for use in generation of preferential antibiotics; polynucleotide which encodes a domain of a ramoplanin nonribosomal peptide synthetase ECOPIA BIOSCIENCES, INC. 2005-12-29 US disclosed
EP-1326983-B1 GENE CLUSTER FOR RAMOPLANIN BIOSYNTHESIS ECOPIA BIOSCIENCES INC (CA) 2005-04-06 EP disclosed
EP-1326983-A2 GENE CLUSTER FOR RAMOPLANIN BIOSYNTHESIS Ecopia Biosciences Inc. (CA) 2003-07-16 EP disclosed
US-20020164747-A1 Gene cluster for ramoplanin biosynthesis ECOPIA BIOSCIENCES INC. 2002-11-07 US disclosed
WO-2002031155-A2 GENE CLUSTER FOR RAMOPLANIN BIOSYNTHESIS ECOPIA BIOSCIENCES INC. (CA) 2002-04-18 WO disclosed