SCHEMBL8994531

SCHEMBL8994531

OC[C@@H](O)COc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
LMNA P02545 2/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
CYP2D6 P10635 1/20 0.51
ADRB3 P13945 1/20 0.51
KDM4E B2RXH2 2/20 0.50
CYP1A2 P05177 2/20 0.50
AR P10275 1/20 0.50
LTA4H P09960 1/20 0.50
AGTR1 P30556 1/20 0.50

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
SCHEMBL1496800 1.00 TSHR (0.56) TSHRMAPK1LMNAMAPTHTT
SCHEMBL4619478 0.92 TSHR (0.62) TSHRMAPK1LMNAMAPTHTT
SCHEMBL6480727 0.92 TSHR (0.62) TSHRMAPK1LMNAMAPTHTT
SCHEMBL117951 0.92 TSHR (0.62) TSHRMAPK1LMNAMAPTHTT
SCHEMBL5010945 0.92 AR (0.56) TSHRMAPK1LMNAMAPTHTT
SCHEMBL14173946 0.91 TSHR (0.48) TSHRMAPK1LMNAMAPTHTT
SCHEMBL14173742 0.89 TSHR (0.47) TSHRMAPK1LMNAMAPTHTT
SCHEMBL14173867 0.87 SMN1; SMN2 (0.45) TSHRMAPK1LMNAMAPTHTT
Bicarbonate SCHEMBL27926288 0.87 TSHR (0.57) TSHRMAPK1LMNAMAPTHTT
SCHEMBL14173983 0.87 MAPT (0.46) TSHRMAPK1LMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0501912-B1 Methyldioxolane CIBA GEIGY AG (CH) 1996-08-14 EP disclosed
US-5478958-A Stereoselective acetalization catalyst CIBA-GEIGY CORPORATION (US) 1995-12-26 US disclosed
US-5384416-A Stereospecific insecticides CIBA-GEIGY CORPORATION (US) 1995-01-24 US disclosed
US-5280041-A Such as 4-((4-phenoxyphenoxy)methyl)dioxolan CIBA-GEIGY CORPORATION (US) 1994-01-18 US disclosed
EP-0501912-A1 Methyldioxolane CIBA-GEIGY AG (CH) 1992-09-02 EP disclosed