SCHEMBL7368100

SCHEMBL7368100

COc1cc(C)c(-c2c(CCO)ccc(OC)c2C(C)C)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
CYP2D6 P10635 1/20 0.35
AKR1B1 P15121 1/20 0.34
ADRA1A P35348 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ADRA2A P08913 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7367350 0.85 HTR2A (0.37) HTR2ATAAR1HSD17B10
SCHEMBL7114175 0.73 ALDH1A1 (0.46) AKR1B1
SCHEMBL12226957 0.70 CYP2D6 (0.53) CYP2D6ADRA1ATAAR1MEN1KMT2A
SCHEMBL282797 0.69 HTR2A (0.43) HTR2ACYP2D6ADRA1ATAAR1ADRA2A
SCHEMBL1145887 0.67 ADRA1A (0.68) HTR2ACYP2D6ADRA1ATAAR1HSD17B10
SCHEMBL48353 0.67 APLNR (0.59) HTR2ACYP2D6ADRA1ATAAR1MEN1
SCHEMBL11974262 0.66 ALDH1A1 (0.42) CYP2D6HSD17B10
SCHEMBL28928134 0.66 CYP1A2 (0.39)
SCHEMBL2629462 0.65 ALDH1A1 (0.48) KMT2A
SCHEMBL12326164 0.65 ALDH1A1 (0.59) CYP2D6MEN1KMT2A

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-0991618-A4 SELECTIVE THYROID HORMONE ANALOGS UNIV CALIFORNIA (US) 2000-09-27 EP disclosed
EP-0991618-A1 SELECTIVE THYROID HORMONE ANALOGS The Regents of the University of California (US) 2000-04-12 EP disclosed
WO-1998057919-A1 SELECTIVE THYROID HORMONE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-12-23 WO disclosed