SCHEMBL3410109

SCHEMBL3410109

C=C(C)C(=O)OCC(C)(O)C1CC2CCC1C2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
EPHX2 P34913 1/20 0.34
TSHR P16473 3/20 0.33
GRM1 Q13255 2/20 0.32
THRB P10828 1/20 0.31
CYP19A1 P11511 1/20 0.31
ATM Q13315 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
SCHEMBL10020760 0.78 ALDH1A1 (0.38) ALDH1A1EPHX2TSHRTHRB
SCHEMBL14213229 0.78 EPHX2 (0.36) ALDH1A1EPHX2GRM1CYP19A1ATM
SCHEMBL677843 0.77 EPHX2 (0.31) ALDH1A1EPHX2
SCHEMBL1819178 0.77 SLC6A3 (0.31) ALDH1A1EPHX2
SCHEMBL25802902 0.77 SLC6A3 (0.31) ALDH1A1EPHX2
SCHEMBL17247238 0.76 ALDH1A1 (0.33) ALDH1A1EPHX2
SCHEMBL16807396 0.75 EPHX2 (0.34) ALDH1A1EPHX2
SCHEMBL32688730 0.74 POLB (0.35) ALDH1A1EPHX2CYP19A1
SCHEMBL16807395 0.73 EPHX2 (0.35) ALDH1A1EPHX2GRM1
SCHEMBL13385119 0.72 ALDH1A1 (0.38) ALDH1A1EPHX2TSHRGRM1THRB

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-20100233620-A1 Copolymer and photoresist composition including the same CHEIL INDUSTRIES, INC. (KR) 2010-09-16 US disclosed
WO-2009069848-A1 NOVEL COPOLYMERS AND PHOTORESIST COMPOSITION INCLUDING THE SAME CHEIL INDUSTRIES INC. (KR) 2009-06-04 WO disclosed