SCHEMBL11828554

SCHEMBL11828554

O=C(O)c1ccc(S)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.47
RXRB P28702 3/20 0.47
RXRG P48443 3/20 0.47
SRD5A2 P31213 3/20 0.47
P4HB P07237 1/20 0.46
TTR P02766 1/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADH5 P11766 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL827082 0.85 RXRA (0.48) RXRARXRBRXRGSRD5A2P4HB
SCHEMBL31319449 0.85 RXRA (0.48) RXRARXRBRXRGSRD5A2P4HB
SCHEMBL841228 0.84 KIF11 (0.51) MAPTPDK2AKR1C3AKR1C2
SCHEMBL7026695 0.83 CES2 (0.50) RXRARXRBRXRGSRD5A2P4HB
SCHEMBL336261 0.83 ADH5 (0.54) RXRARXRBRXRGSRD5A2P4HB
Hydrochloric Acid SCHEMBL23302229 0.82 CES2 (0.48) RXRARXRBRXRGSRD5A2P4HB
SCHEMBL78878 0.82 TAS1R3 (0.54) RXRARXRBRXRGSRD5A2P4HB
SCHEMBL402677 0.82 P4HB (0.62) RXRARXRBRXRGSRD5A2P4HB
Hydrochloric Acid SCHEMBL9229512 0.82 ADH5 (0.52) RXRARXRBRXRGSRD5A2P4HB
SCHEMBL321273 0.82 MAPT (0.55) RXRARXRBRXRGSRD5A2P4HB

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-3954994-A Intermediates for preparing hipolipemic agents and method of lowering the blood lipid level in mammals with said agents PFIZER INC. (US) 1976-05-04 US disclosed