SCHEMBL25249782

SCHEMBL25249782

CCOC(=O)CC(OCC)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
KMT2A Q03164 1/20 0.40
UGT2B7 P16662 2/20 0.39
ALDH1A1 P00352 5/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 3/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
THRB P10828 1/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TRPA1 O75762 1/20 0.35
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34

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
SCHEMBL25251873 0.98 CYP2D6 (0.44) CYP2D6KMT2AUGT2B7ALDH1A1NPSR1
SCHEMBL6683507 0.93 CYP2D6 (0.41) CYP2D6KMT2AUGT2B7ALDH1A1TSHR
SCHEMBL27998859 0.81 ALDH1A1 (0.47) CYP2D6ALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL8466172 0.79 CYP2D6 (0.33) CYP2D6UGT2B7ALDH1A1TSHRMGAM
SCHEMBL7623909 0.79 CYP2D6 (0.41) CYP2D6KMT2AUGT2B7ALDH1A1TSHR
SCHEMBL7623877 0.79 TSHR (0.38) TSHRMGAMGAASIMGAM2
SCHEMBL8466174 0.78 HCAR2 (0.35) CYP2D6UGT2B7L3MBTL1KDM4ETDP1
SCHEMBL31169560 0.77 CYP2D6 (0.39) CYP2D6KMT2AUGT2B7ALDH1A1NPSR1
SCHEMBL13681637 0.77 CYP2D6 (0.47) CYP2D6KMT2AUGT2B7ALDH1A1NPSR1
SCHEMBL1866738 0.77 CYP2D6 (0.47) CYP2D6KMT2AUGT2B7ALDH1A1NPSR1

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-20230220143-A1 METHOD FOR PRODUCING CATALYST FOR POLYMERIZATION OF OLEFIN, CATALYST FOR POLYMERIZATION OF OLEFIN, AND METHOD FOR PRODUCING POLYMER OF OLEFIN TOHO TITANIUM CO., LTD. (JP) 2023-07-13 US disclosed