SCHEMBL3387698

SCHEMBL3387698

COC(=O)CC1(O)C=CC=CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
TSHR P16473 3/20 0.32
HSD17B10 Q99714 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL3387702 1.00 TP53 (0.33) TP53TSHRHSD17B10MGAMGAA
SCHEMBL3391782 1.00 TP53 (0.33) TP53TSHRHSD17B10MGAMGAA
SCHEMBL28105582 0.83 G6PD (0.30)
SCHEMBL5252146 0.81 ALDH1A1 (0.31)
SCHEMBL28882399 0.79
SCHEMBL6402098 0.79 TP53 (0.33) TP53TSHRHSD17B10MGAMGAA
SCHEMBL3301908 0.77
SCHEMBL27456563 0.76 TDP1 (0.32)
SCHEMBL28709381 0.76 TP53 (0.32) TP53TSHR
SCHEMBL14690734 0.72 GRIK1 (0.30)

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-1931629-B1 SYNTHESIS OF RENIN INHIBITORS INVOLVING A CYCLOADDITION REACTION NOVARTIS AG (CH) 2010-12-22 EP disclosed
EP-1931629-A1 SYTHESIS OF RENIN INHIBITORS INVOLVING A CYCLOADDITION REACTION Novartis AG (CH) 2008-06-18 EP disclosed
WO-2007039183-A1 SYTHESIS OF RENIN INHIBITORS INVOLVING A CYCLOADDITION REACTION NOVARTIS AG (CH) 2007-04-12 WO disclosed