SCHEMBL1753863

SCHEMBL1753863

CC1CC(C)(C)CC(C)(CNC(=O)OCF)C1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL1753633 0.89 TSHR (0.53) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL17658797 0.87 TSHR (0.54) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL13647776 0.86 TSHR (0.68) TSHRALDH1A1MAPTOPRM1OPRL1
SCHEMBL11942802 0.84 TSHR (0.62) TSHRALDH1A1MAPT
SCHEMBL12462194 0.84 TSHR (0.51) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL20117523 0.83 TSHR (0.50) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL13171313 0.83 TSHR (0.68) TSHRALDH1A1
SCHEMBL811115 0.83 TSHR (0.48) TSHRALDH1A1OPRM1OPRL1
SCHEMBL15171908 0.82 TSHR (0.84) TSHR
SCHEMBL19343438 0.82 TSHR (0.67) TSHR

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
US-8158728-B2 Methods and materials for fabricating microfluidic devices THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-04-17 US disclosed