SCHEMBL9575541

SCHEMBL9575541

c1ccc(COCC(COCc2ccccc2)OCOC(COCc2ccccc2)COCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
CA1 P00915 4/20 0.52
CA2 P00918 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
TACR1 P25103 3/20 0.50
SLC1A1 P43005 1/20 0.44
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
IDO1 P14902 1/20 0.41
HTT P42858 1/20 0.41
AGXT P21549 1/20 0.40

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
SCHEMBL9575373 0.91 TSHR (0.47) TSHRCA1CA2CA7CA9
SCHEMBL9575553 0.91 TSHR (0.47) TSHRCA1CA2CA7CA9
SCHEMBL9575368 0.89 KMT2A (0.46) TSHRCA1CA2CA7CA9
SCHEMBL4535810 0.89 TSHR (0.58) TSHRCA1CA2CA7CA9
SCHEMBL9575753 0.88 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL9575380 0.88 CA1 (0.46) TSHRCA1CA2CA7CA9
SCHEMBL9575526 0.86 TSHR (0.45) TSHRCA1CA2CA7CA9
SCHEMBL4088276 0.84 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL4483638 0.82 CA1 (0.61) TSHRCA1CA2CA7CA9
SCHEMBL13260741 0.82 TACR1 (0.54) 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