SCHEMBL9811642

SCHEMBL9811642

C#Cc1cn([C@H]2C[C@H](OC(=O)c3ccc(C)cc3)[C@@H](COC(=O)c3ccc(C)cc3)O2)c(=O)[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.59
TYMS P04818 1/20 0.46
UPP1 Q16831 1/20 0.42
TERT O14746 2/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA5A P35218 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
ABCG2 Q9UNQ0 3/20 0.41
ABCB1 P08183 1/20 0.41
TK1 P04183 3/20 0.41

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
SCHEMBL9811638 0.91 RNASE1 (0.53) RNASE1TYMSUPP1TERTCA12
SCHEMBL9633553 0.91 RNASE1 (0.57) RNASE1TYMSUPP1TERTCA12
SCHEMBL9811657 0.91 UPP1 (0.52) RNASE1UPP1
SCHEMBL9811606 0.91 RNASE1 (0.63) RNASE1TYMSUPP1
SCHEMBL9811645 0.90 RNASE1 (0.56) RNASE1TYMSUPP1TERTCA12
SCHEMBL10768161 0.90 RNASE1 (0.56) RNASE1TYMSUPP1TERTCA12
SCHEMBL8949961 0.89 RNASE1 (0.55) RNASE1TYMSTERTCA12CA1
SCHEMBL30698170 0.88 RNASE1 (0.61) RNASE1TYMSUPP1TERTCA12
SCHEMBL6542150 0.88 RNASE1 (0.61) RNASE1TYMSUPP1TERTCA12
SCHEMBL9222917 0.85 RNASE1 (0.58) RNASE1TYMSUPP1TERTCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0208550-B1 ANTIVIRAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-05-22 EP disclosed
US-4863906-A VIRICIDES, VARICELLA ZOSTER, CYTOMEGALOVIRUS BURROUGHS WELLCOME CO. (US) 1989-09-05 US disclosed
EP-0208550-A2 Antiviral compounds THE WELLCOME FOUNDATION LIMITED (GB) 1987-01-14 EP disclosed