SCHEMBL8776071

SCHEMBL8776071

CC(C)(C)C1CC(O[Si](C)(C)C(C)(C)C)C=C1COCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
TAAR1 Q96RJ0 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
KDM1A O60341 4/20 0.31
PDE4D Q08499 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
SCHEMBL8377327 1.00 TSHR (0.37) TSHRTAAR1HTR2CHTR2BKDM1A
SCHEMBL8662781 0.83 TSHR (0.35) TSHRTAAR1HTR2CHTR2BKDM1A
SCHEMBL8662773 0.83 TSHR (0.35) TSHRTAAR1HTR2CHTR2BKDM1A
SCHEMBL13783590 0.83 TSHR (0.35) TSHRTAAR1HTR2CHTR2BKDM1A
SCHEMBL782760 0.76 TSHR (0.37) TSHRTAAR1HTR2CHTR2BKDM1A
SCHEMBL16261737 0.76 TSHR (0.37) TSHRTAAR1HTR2CHTR2BKDM1A
SCHEMBL16261738 0.76 TSHR (0.37) TSHRTAAR1HTR2CHTR2BKDM1A
SCHEMBL14719814 0.71 TSHR (0.40) TSHRTAAR1KDM1APDE4D
SCHEMBL477836 0.70 TAAR1 (0.41) TSHRTAAR1
SCHEMBL4862979 0.69 TSHR (0.38) TSHRTAAR1HTR2BPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0720604-B1 CONFORMATIONALLY LOCKED NUCLEOSIDE ANALOGUES US HEALTH (US) 1997-11-19 EP disclosed