SCHEMBL11061538

SCHEMBL11061538

Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3cc(/C=C/Br)c(=O)[nH]c3=O)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.59
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
TK1 P04183 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TK2 O00142 7/20 0.45
TYMS P04818 2/20 0.44
TERT O14746 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA5B Q9Y2D0 2/20 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
SCHEMBL11054269 0.94 RNASE1 (0.57) RNASE1CYP1A2CYP3A4TSHRTK1
SCHEMBL11205790 0.92 RNASE1 (0.61) RNASE1CYP1A2CYP3A4TSHRTK1
SCHEMBL11205795 0.92 RNASE1 (0.61) RNASE1CYP1A2CYP3A4TSHRTK1
SCHEMBL6235590 0.92 TK1 (0.53) RNASE1CYP1A2CYP3A4TSHRTK1
SCHEMBL6926181 0.92 TK1 (0.53) RNASE1CYP1A2CYP3A4TSHRTK1
SCHEMBL11200750 0.92 RNASE1 (0.70) RNASE1CYP1A2CYP3A4TSHRTK1
SCHEMBL11200741 0.92 RNASE1 (0.70) RNASE1CYP1A2CYP3A4TSHRTK1
SCHEMBL11200745 0.92 RNASE1 (0.70) RNASE1CYP1A2CYP3A4TSHRTK1
SCHEMBL11198667 0.91 RNASE1 (0.52) RNASE1CYP1A2CYP3A4TSHRTK1
SCHEMBL11203217 0.90 CYP1A2 (0.65) RNASE1CYP1A2CYP3A4TSHRTK1

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-4424211-A VIRICIDES REGA INSTITUUT VZW (BE) 1984-01-03 US disclosed
EP-0082668-A1 5-(2-Halogenovinyl)-2'-deoxyuridine derivatives, processes for their preparation, pharmaceutical compositions containing them and their use in treating viral infections BEECHAM GROUP PLC (GB) 1983-06-29 EP disclosed