SCHEMBL10487552

SCHEMBL10487552

C[C@H](N)C(=O)N(CC(=O)O)c1ccc2c(c1)CCC2

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44

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
SCHEMBL10493803 0.83 RXRA (0.37) RXRARXRBRXRG
Pyruvate SCHEMBL10487684 0.79 RXRA (0.38) RXRARXRBRXRG
SCHEMBL10487589 0.76 MLYCD (0.49)
SCHEMBL10487587 0.76 MLYCD (0.49)
SCHEMBL6047685 0.75 MLYCD (0.48)
SCHEMBL14690329 0.75 MLYCD (0.48)
SCHEMBL10881862 0.70 MLYCD (0.40)
SCHEMBL5427705 0.69 RXRA (0.53) RXRARXRBRXRG
SCHEMBL11335836 0.69 RXRA (0.40) RXRARXRBRXRG
SCHEMBL16671432 0.68 RXRA (0.47) RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4820729-A N-substituted-amido-amino acids RORER PHARMACEUTICAL CORPORATION (US) 1989-04-11 US disclosed