SCHEMBL13779646

SCHEMBL13779646

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
CYP17A1 P05093 2/20 0.41
CYP19A1 P11511 2/20 0.41
EPHX2 P34913 13/20 0.38
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL13779645 0.96 CYP17A1 (0.42) TSHRCYP17A1CYP19A1EPHX2POLB
SCHEMBL2740753 0.91 CYP17A1 (0.43) TSHRCYP17A1CYP19A1EPHX2THRB
SCHEMBL10027335 0.88 CYP17A1 (0.42) TSHRCYP17A1CYP19A1EPHX2POLB
SCHEMBL214191 0.82 CYP17A1 (0.42) TSHRCYP17A1CYP19A1THRBALDH1A1
SCHEMBL12704685 0.82 TSHR (0.39) TSHREPHX2POLBAPEX1HTT
SCHEMBL950092 0.82 THRB (0.44) TSHRCYP17A1CYP19A1THRBALDH1A1
SCHEMBL10027336 0.81 THRB (0.41) TSHRCYP17A1CYP19A1POLBAPEX1
SCHEMBL212781 0.80 CYP17A1 (0.41) TSHRCYP17A1CYP19A1EPHX2THRB
SCHEMBL10136378 0.80 THRB (0.35) TSHRCYP17A1CYP19A1EPHX2POLB
SCHEMBL10136410 0.79 TSHR (0.36) TSHREPHX2POLBAPEX1HTT

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-7556908-B2 Chemically amplified positive resist composition, (meth)acrylate derivative and a process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-07 US disclosed