SCHEMBL15577018

SCHEMBL15577018

CC(C)c1ccc(-c2ccccc2)cc1[S+](C)[O-]

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL10192324 0.84 MMP1 (0.32) RXRARXRBALOX5PTGS2
SCHEMBL11840980 0.80 PTGS2 (0.39) PTGS2
SCHEMBL11840724 0.79 PTGS2 (0.38) PTGS2
SCHEMBL8679236 0.75 RXRA (0.42) RXRARXRBRXRGALOX5PTGS2
SCHEMBL30500509 0.75 RXRA (0.42) RXRARXRBRXRGALOX5PTGS2
SCHEMBL13712973 0.75 GABRA1 (0.43)
SCHEMBL24869049 0.73 RECQL (0.33)
SCHEMBL10598465 0.72 MEN1 (0.47) RXRARXRBRXRG
SCHEMBL19078687 0.71 ESR2 (0.52) RXRARXRBRXRGPTGS2
SCHEMBL18085911 0.71 MAPT (0.52)

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-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 US disclosed