SCHEMBL4442835

SCHEMBL4442835

CCOC(=O)C1CCCCC(C(=O)OCC)CC(C)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.54
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL3290824 0.89 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL13369529 0.89 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL22420090 0.89 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL22990900 0.89 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1195935 0.89 MEN1 (0.44) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL24352202 0.89 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL12332811 0.85 MAPT (0.53) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1169713 0.85 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1286694 0.85 MAPT (0.53) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL15200245 0.85 MAPT (0.53) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2

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-20090069515-A1 Solid Titanium Catalyst Component, Catalyst for Polymerization of Olefin and Process for Producing Olefin Polymer MITSUI CHEMICALS,INC. (JP) 2009-03-12 US disclosed