SCHEMBL2483547

SCHEMBL2483547

CC(C)N(Cc1ccccc1O)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.48
TSHR P16473 2/20 0.43
CYP2D6 P10635 1/20 0.43
HIF1A Q16665 1/20 0.43
HTR1A P08908 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
AKR1B1 P15121 1/20 0.42
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
IDO1 P14902 2/20 0.41
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
HTR2A P28223 1/20 0.40
CA9 Q16790 1/20 0.39
MPO P05164 1/20 0.39
KEAP1 Q14145 1/20 0.39

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
SCHEMBL11438913 0.86 HSPA5 (0.46) HSPA5TSHRCYP2D6HIF1AHTR1A
SCHEMBL18997922 0.86 CHRM2 (0.43) HSPA5TSHRCYP2D6HIF1AHTR1A
SCHEMBL25453156 0.82 HTR2A (0.50) HSPA5TSHRCYP2D6HIF1AHTR1A
SCHEMBL31404242 0.80 HSPA5 (0.54) HSPA5TSHRCYP2D6HIF1AHTR1A
SCHEMBL862811 0.80 HSPA5 (0.54) HSPA5TSHRCYP2D6HIF1AHTR1A
SCHEMBL27534383 0.80 HTR1A (0.58) HSPA5TSHRCYP2D6HIF1AHTR1A
SCHEMBL8852318 0.79 KDM4E (0.45) HSPA5TSHRCYP2D6HIF1AHTR1A
SCHEMBL28796412 0.77 HTR1A (0.50) HSPA5TSHRCYP2D6HIF1AHTR1A
SCHEMBL95295 0.77 HSPA5 (0.50) HSPA5TSHRCYP2D6HIF1AHTR1A
SCHEMBL15483812 0.77 HSPA5 (0.50) HSPA5TSHRCYP2D6HIF1AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013019655-A2 VIMENTIN AS A BIOMARKER FOR THE PROGRESSION OF MYELOPROLIFERATIVE NEOPLASMS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2013-02-07 WO claimed
EP-2376425-A2 KINASE INHIBITOR COMPOUNDS University of Florida Research Foundation, Inc. (US) 2011-10-19 EP claimed
WO-2010068710-A2 KINASE INHIBITOR COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-06-17 WO claimed
WO-2013019655-A2 VIMENTIN AS A BIOMARKER FOR THE PROGRESSION OF MYELOPROLIFERATIVE NEOPLASMS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2013-02-07 WO disclosed
EP-2376425-A2 KINASE INHIBITOR COMPOUNDS University of Florida Research Foundation, Inc. (US) 2011-10-19 EP disclosed
WO-2010068710-A2 KINASE INHIBITOR COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-06-17 WO disclosed