SCHEMBL6472297

SCHEMBL6472297

CCC=CC[C@@H](C)O.CCC=CC[C@H](C)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
GRIK1 P39086 2/20 0.38
GRIK2 Q13002 2/20 0.38
FPR2 P25090 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.33
FFAR1 O14842 1/20 0.30
MAPT P10636 1/20 0.30
CYP19A1 P11511 1/20 0.30
RXRA P19793 1/20 0.30
PPARG P37231 1/20 0.30
OXER1 Q8TDS5 1/20 0.30

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
SCHEMBL1784155 1.00
SCHEMBL14220615 1.00
SCHEMBL6472293 1.00 TSHR (0.42) TSHRGRIK1GRIK2FPR2TDP1
SCHEMBL1658879 1.00
SCHEMBL1658878 1.00
SCHEMBL31391971 0.92 ALDH1A1 (0.40) TSHRGRIK1GRIK2TDP1ALDH1A1
SCHEMBL17586680 0.92 ALDH1A1 (0.40) TSHRGRIK1GRIK2TDP1ALDH1A1
SCHEMBL3399729 0.87 TSHR (0.44) TSHRTDP1ALDH1A1
SCHEMBL3399731 0.87 TSHR (0.44) TSHRTDP1ALDH1A1
SCHEMBL17943047 0.82 FFAR1 (0.38) TDP1ALDH1A1FFAR1MAPTCYP19A1

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
WO-2005016385-A1 INSECTICIDAL AND ACARICIDAL COMPOSITIONS WITH UV BLOCKERS AND PHEROMONES SIRENE CALL PTY LTD (AU) 2005-02-24 WO disclosed