SCHEMBL9575414

SCHEMBL9575414

c1ccc(COCCOCOCCOCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
NAAA Q02083 1/20 0.53
IDO1 P14902 1/20 0.48
AGXT P21549 1/20 0.46
LTA4H P09960 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
TACR1 P25103 2/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL1991359 0.92 TSHR (0.78) TSHRNAAAIDO1AGXTLTA4H
SCHEMBL9505432 0.90 TSHR (0.74) TSHRNAAAIDO1AGXTLTA4H
SCHEMBL3701483 0.90 TSHR (0.74) TSHRNAAAIDO1AGXTLTA4H
SCHEMBL26189828 0.90 TSHR (0.74) TSHRNAAAIDO1AGXTLTA4H
SCHEMBL10895400 0.90 TSHR (0.74) TSHRNAAAIDO1AGXTLTA4H
SCHEMBL4608747 0.90 TSHR (0.74) TSHRNAAAIDO1AGXTLTA4H
SCHEMBL27710140 0.90 TSHR (0.74) TSHRNAAAIDO1AGXTLTA4H
SCHEMBL28444172 0.89 TSHR (0.54) TSHRNAAAIDO1AGXTLTA4H
SCHEMBL29482065 0.87 TSHR (0.70) TSHRNAAAIDO1AGXTLTA4H
SCHEMBL223907 0.87 TSHR (0.78) TSHRIDO1AGXTCA1CA2

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-5225550-A PROCESS FOR THE PREPARATION OF SUBSTITUTED ACYCLIC NUCLEOSIDES, AND INTERMEDIATES OCCURRING THEREIN HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-06 US disclosed