SCHEMBL9157315

SCHEMBL9157315

O=CCCCCCC(F)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
TSHR P16473 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
FAAH O00519 3/20 0.33
CES1 P23141 3/20 0.33
LMNA P02545 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH7 P40394 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
SCHEMBL19043286 0.82 MBOAT4 (0.34) PTPN1TSHRLMNAADH1BADH1C
SCHEMBL28055769 0.78 ALDH1A1 (0.41) TSHRLMNAADH1BADH1CADH1A
SCHEMBL6211503 0.72 L3MBTL1 (0.50) TSHR
SCHEMBL7784378 0.72 L3MBTL1 (0.50) TSHR
SCHEMBL27274855 0.72 L3MBTL1 (0.50) TSHR
SCHEMBL5561948 0.72 L3MBTL1 (0.50) TSHR
SCHEMBL9875114 0.72 L3MBTL1 (0.50) TSHR
SCHEMBL711369 0.72 L3MBTL1 (0.50) TSHR
SCHEMBL18585071 0.72 L3MBTL1 (0.50) TSHR
SCHEMBL1009942 0.72 L3MBTL1 (0.50) TSHR

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-5432273-A Cyclizing a 5-(protected)oxy-5-(heterocyclic base)-3(S)-fluoro-1,2-(S)-pentanediol EMORY UNIVERSITY (US) 1995-07-11 US disclosed