SCHEMBL411444

SCHEMBL411444

CC(=O)CCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
MAPT P10636 2/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL410735 0.88 TSHR (0.38) CYP2D6ADRA2AADRA1AMAPTBLM
SCHEMBL7193032 0.88 LMNA (0.36) CYP2D6ADRA2AADRA1AMAPTBLM
SCHEMBL18782360 0.87 DGKA (0.35) CYP2D6KMT2AALDH1A1
SCHEMBL1625511 0.86 ADRA2A (0.31) ADRA2AADRA1AMAPTBLM
SCHEMBL17830161 0.86 KMT2A (0.34) ADRA2AADRA1AMAPTBLMKMT2A
SCHEMBL21443553 0.85 CYP2D6 (0.31) CYP2D6ADRA2AADRA1A
SCHEMBL23074471 0.84 EPHX2 (0.33) CYP2D6KMT2A
SCHEMBL10045651 0.83 GAA (0.40) CYP2D6BLMKMT2AALDH1A1
SCHEMBL1687733 0.83 CYP2D6 (0.34) CYP2D6KMT2A
SCHEMBL9835731 0.83 ALDH1A1 (0.37) CYP2D6KMT2AALDH1A1

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-8309658-B2 Adhesive composition, circuit connecting material, connecting structure for circuit member, and semiconductor device HITACHI CHEMICAL COMPANY, LTD. (JP) 2012-11-13 US disclosed
US-20120063109-A1 ADHESIVE COMPOSITION, CIRCUIT CONNECTING MATERIAL, CONNECTING STRUCTURE FOR CIRCUIT MEMBER, AND SEMICONDUCTOR DEVICE RESONAC CORPORATION (JP) 2012-03-15 US disclosed