SCHEMBL13078956

SCHEMBL13078956

C=C(C)C(=O)OC1(COCCCC)C2CC3CC(C2)CC1C3

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
EPHX2 P34913 8/20 0.36
THRB P10828 1/20 0.33
ASGR1 P07306 1/20 0.32
DPP4 P27487 1/20 0.31
CES2 O00748 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL28567407 0.92 EPHX2 (0.37) TSHREPHX2THRBASGR1
SCHEMBL28568019 0.86 THRB (0.39) EPHX2THRBALDH1A1
SCHEMBL825473 0.83 TSHR (0.38) TSHREPHX2ALDH1A1
SCHEMBL4401855 0.82 TSHR (0.41) TSHREPHX2ALDH1A1
SCHEMBL44041 0.81 ALDH1A1 (0.35) TSHRTHRBALDH1A1
SCHEMBL4403811 0.81 TSHR (0.43) TSHREPHX2THRB
SCHEMBL4399200 0.81 TSHR (0.43) TSHREPHX2THRB
SCHEMBL4401860 0.81 TSHR (0.43) TSHREPHX2THRB
SCHEMBL14580049 0.81 THRB (0.41) TSHREPHX2THRBALDH1A1
SCHEMBL14580047 0.80 ALDH1A1 (0.34) ALDH1A1

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-7833690-B2 Photoacid generators and lithographic resists comprising the same THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2010-11-16 US disclosed
US-7776505-B2 High resolution resists for next generation lithographies THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2010-08-17 US disclosed