SCHEMBL9575742

SCHEMBL9575742

CC(C)OC(COCOCC(COCc1ccccc1)OC(C)C)COCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
CA1 P00915 4/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
TACR1 P25103 5/20 0.45
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.40
SLC1A1 P43005 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
VCP P55072 1/20 0.38

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
SCHEMBL9575806 0.84 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL9575753 0.81 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL12408480 0.81 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL9575368 0.79 KMT2A (0.46) TSHRCA1CA2CA7CA9
SCHEMBL9575379 0.79 TSHR (0.41) TSHRCA1CA2CA7CA9
SCHEMBL4624136 0.79 CA1 (0.51) TSHRCA1CA2CA7CA9
SCHEMBL4621117 0.77 TSHR (0.56) TSHRCA1CA2CA7CA9
SCHEMBL12744032 0.77 TSHR (0.56) TSHRCA1CA2CA7CA9
SCHEMBL9575541 0.77 TSHR (0.56) TSHRCA1CA2CA7CA9
SCHEMBL14453899 0.77 TSHR (0.61) 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