SCHEMBL10065504

SCHEMBL10065504

CCC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
GABRR1 P24046 2/20 0.32
CYP1A2 P05177 1/20 0.32
ACE2 Q9BYF1 1/20 0.31

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
SCHEMBL12363478 1.00 CYP2D6 (0.34) CYP2D6TSHRCYP2C19HIF1AGABRR1
SCHEMBL12762287 1.00 CYP2D6 (0.34) CYP2D6TSHRCYP2C19HIF1AGABRR1
SCHEMBL8259112 0.88 TSHR (0.39) CYP2D6TSHRCYP2C19HIF1AGABRR1
SCHEMBL19196014 0.82 CYP2D6 (0.32) CYP2D6TSHRCYP2C19HIF1AGABRR1
SCHEMBL12757293 0.82 CYP2D6 (0.32) CYP2D6TSHRCYP2C19HIF1AGABRR1
SCHEMBL11891445 0.82 CYP2D6 (0.32) CYP2D6TSHRCYP2C19HIF1AGABRR1
SCHEMBL14790954 0.82
SCHEMBL13964623 0.79 TSHR (0.50) CYP2D6TSHRCYP2C19HIF1ACYP1A2
SCHEMBL13308934 0.79 TSHR (0.50) CYP2D6TSHRCYP2C19HIF1ACYP1A2
SCHEMBL9347641 0.79 TSHR (0.50) CYP2D6TSHRCYP2C19HIF1ACYP1A2

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-20120213978-A1 INK COMPOSITION, IMAGE FORMING METHOD, AND PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2012-08-23 US disclosed
US-20120052256-A1 AQUEOUS INK COMPOSITION, INKJET RECORDING METHOD, AND INKJET PRINTED ARTICLE FUJIFILM CORPORATION (JP) 2012-03-01 US disclosed