SCHEMBL28035308

SCHEMBL28035308

CCC(=O)c1ccc(OC(C)C)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.54
RXRB P28702 2/20 0.54
RXRG P48443 2/20 0.54
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
S1PR3 Q99500 4/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
S1PR1 P21453 6/20 0.41
S1PR5 Q9H228 3/20 0.41
PDE4B Q07343 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
DYRK3 O43781 1/20 0.40
MAP4K4 O95819 1/20 0.40
ERBB2 P04626 1/20 0.40
PIM1 P11309 1/20 0.40

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
SCHEMBL28035311 0.89 THRA (0.46) RXRARXRBRXRGTHRATHRB
SCHEMBL403300 0.84 RXRA (0.58) RXRARXRBRXRGS1PR3KMT2A
SCHEMBL17386570 0.84 RXRA (0.54) RXRARXRBRXRGS1PR3MEN1
SCHEMBL30440283 0.84 RXRA (0.54) RXRARXRBRXRGS1PR3MEN1
SCHEMBL17664021 0.82 RXRA (0.53) RXRARXRBRXRGS1PR3MEN1
SCHEMBL24860963 0.81 NOTUM (0.60) RXRARXRBRXRGS1PR3MEN1
SCHEMBL402684 0.81 RXRA (0.52) RXRARXRBRXRGS1PR3MEN1
SCHEMBL25139472 0.81 KCNQ3 (0.50) THRATHRBMEN1KMT2APDE4B
SCHEMBL28035821 0.80 THRA (0.61) RXRARXRBRXRGTHRATHRB
SCHEMBL28162947 0.79 PDE4B (0.47) THRATHRBMEN1KMT2APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106414438-A 2-acylaminothiazole derivative or salt thereof 安斯泰来制药株式会社 2017-02-15 CN disclosed
CN-105008353-A 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC 2015-10-28 CN disclosed