SCHEMBL21385103

SCHEMBL21385103

NC(=O)OOCC(=O)NCCOCCOCCCCCCCl

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
NCF1 P14598 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.32
FAAH O00519 1/20 0.32
EPHX2 P34913 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA4 P22748 2/20 0.30
CA9 Q16790 2/20 0.30
CA14 Q9ULX7 2/20 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
SCHEMBL21385102 0.86 FAAH (0.36) TSHRRECQLNCF1ALDH1A1SMN1; SMN2
SCHEMBL16146537 0.83 TSHR (0.33) TSHRRECQLNCF1ALDH1A1SMN1; SMN2
SCHEMBL21385216 0.82 ALDH1A1 (0.36) TSHRRECQLNCF1ALDH1A1SMN1; SMN2
SCHEMBL22207898 0.80 HRH3 (0.37) TSHRRECQLNCF1ALDH1A1SMN1; SMN2
SCHEMBL9921220 0.80 HRH3 (0.37) TSHRRECQLNCF1ALDH1A1SMN1; SMN2
SCHEMBL22207996 0.80 HRH3 (0.37) TSHRRECQLNCF1ALDH1A1SMN1; SMN2
SCHEMBL22208023 0.80 HRH3 (0.37) TSHRRECQLNCF1ALDH1A1SMN1; SMN2
SCHEMBL22207993 0.79 CA2 (0.45) TSHRRECQLNCF1ALDH1A1SMN1; SMN2
SCHEMBL22207986 0.78 TSHR (0.38) TSHRRECQLNCF1ALDH1A1SMN1; SMN2
SCHEMBL22207945 0.78 TSHR (0.38) TSHRRECQLNCF1ALDH1A1SMN1; 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
WO-2019181901-A1 COMPOUND FOR IMPROVING CELL TRANSPLANTATION EFFICIENCY 国立大学法人京都大学 2019-09-26 WO disclosed