SCHEMBL16407307

SCHEMBL16407307

C=C(CC)C(=O)OCC(O)CN(CC)CCC

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.35
ABCB11 O95342 1/20 0.34
KCNH2 Q12809 1/20 0.34
ABCB1 P08183 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSF1 Q00613 1/20 0.32
TSHR P16473 2/20 0.32
POLB P06746 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
SCHEMBL16407302 0.86 TSHR (0.47) LMNAALDH1A1ABCB11KCNH2ABCB1
SCHEMBL8764057 0.80 TSHR (0.50) LMNAALDH1A1TSHRPOLB
SCHEMBL4993413 0.80 TSHR (0.50) LMNAALDH1A1ABCB1TSHR
SCHEMBL20703391 0.78 LMNA (0.48) LMNAABCB1L3MBTL1TSHRPOLB
SCHEMBL1254411 0.78 TSHR (0.52) LMNAALDH1A1ABCB1L3MBTL1TSHR
SCHEMBL16407301 0.77 TSHR (0.47) LMNAALDH1A1ABCB11KCNH2ABCB1
SCHEMBL28147024 0.77 TSHR (0.39) LMNAALDH1A1TSHR
Hydrochloric Acid SCHEMBL1255408 0.76 TSHR (0.50) LMNAALDH1A1ABCB1L3MBTL1TSHR
Iodide SCHEMBL1254896 0.76 TSHR (0.50) LMNAALDH1A1ABCB1L3MBTL1TSHR
Bromide SCHEMBL1252822 0.76 TSHR (0.50) LMNAALDH1A1ABCB1L3MBTL1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9175186-B2 Coating compositions having chelant functionality ROHM AND HAAS COMPANY 2015-11-03 US disclosed
US-20150051336-A1 COATING COMPOSITIONS HAVING CHELANT FUNCTIONALITY ROHM AND HAAS COMPANY 2015-02-19 US disclosed
US-20150025177-A1 COATING COMPOSITIONS HAVING CHELANT FUNCTIONALITY ROHM AND HAAS COMPANY 2015-01-22 US disclosed