SCHEMBL588412

SCHEMBL588412

NS(=O)(=O)CC1Cc2ccc(Cc3cc(CO)cc(C(F)(F)F)c3)cc2C1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
GRIA2 P42262 12/20 0.35
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
PPARG P37231 1/20 0.33
KIF11 P52732 1/20 0.33
TBXA2R P21731 1/20 0.32

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
SCHEMBL584574 0.82 RXRA (0.39) RXRARXRBRXRGGRIA2SLC5A1
SCHEMBL584573 0.82 RXRA (0.39) RXRARXRBRXRGGRIA2SLC5A1
SCHEMBL11899839 0.79 GRIA2 (0.56) GRIA2TBXA2R
SCHEMBL7896649 0.79 GRIA2 (0.56) GRIA2
SCHEMBL11898524 0.79 GRIA2 (0.56) GRIA2
SCHEMBL7898941 0.79 GRIA2 (0.56) GRIA2TBXA2R
SCHEMBL11898474 0.79 RXRA (0.42) RXRARXRBRXRGGRIA2
SCHEMBL586031 0.77 GRIA2 (0.63) GRIA2
SCHEMBL7898914 0.77 GRIA2 (0.58) GRIA2
SCHEMBL586032 0.77 GRIA2 (0.63) GRIA2

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
EP-2417101-A1 INDANE DERIVATIVES MSD Oss B.V. (NL) 2012-02-15 EP disclosed