SCHEMBL9575753

SCHEMBL9575753

c1ccc(COCC(COCOCC(COCc2ccccc2)OCc2ccccc2)OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
CA1 P00915 4/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
TACR1 P25103 3/20 0.47
SLC1A1 P43005 3/20 0.41
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
IDO1 P14902 1/20 0.39
HTT P42858 1/20 0.39
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL4535810 0.94 TSHR (0.58) TSHRCA1CA2CA7CA9
SCHEMBL9575541 0.88 TSHR (0.56) TSHRCA1CA2CA7CA9
SCHEMBL9575379 0.86 TSHR (0.41) TSHRCA1CA2CA7CA9
SCHEMBL14305766 0.85 TSHR (0.43) TSHRCA1CA2CA7CA9
SCHEMBL10581265 0.85 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL9845277 0.85 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL19068463 0.84 CA1 (0.49) TSHRCA1CA2CA7CA9
SCHEMBL17770696 0.83 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL828589 0.83 CA1 (0.51) TSHRCA1CA2CA7CA9
SCHEMBL8904530 0.83 CA1 (0.51) TSHRCA1CA2CA7CA9

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
US-5225550-A PROCESS FOR THE PREPARATION OF SUBSTITUTED ACYCLIC NUCLEOSIDES, AND INTERMEDIATES OCCURRING THEREIN HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-06 US disclosed
EP-0464511-A2 Process for the preparation of acyclic, substituted nucleosides and its intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-08 EP disclosed