SCHEMBL21385102

SCHEMBL21385102

NC(=O)OCC(=O)NCCOCCOCCCCCCCl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.36
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
NCF1 P14598 1/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.33
EPHX2 P34913 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA2 P00918 3/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA4 P22748 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 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
SCHEMBL16146537 0.92 TSHR (0.33) FAAHTSHRRECQLNCF1ALDH1A1
SCHEMBL21385103 0.86 TSHR (0.33) FAAHTSHRRECQLNCF1ALDH1A1
SCHEMBL9901520 0.86 FAAH (0.44) FAAHTSHRSMN1; SMN2GAAEPHX2
SCHEMBL21385216 0.85 ALDH1A1 (0.36) FAAHTSHRRECQLNCF1ALDH1A1
SCHEMBL23676429 0.82 ACHE (0.41) SMN1; SMN2CA2CA12CA1CA9
SCHEMBL22207996 0.82 HRH3 (0.37) FAAHTSHRRECQLNCF1ALDH1A1
SCHEMBL9921220 0.82 HRH3 (0.37) FAAHTSHRRECQLNCF1ALDH1A1
SCHEMBL22207898 0.82 HRH3 (0.37) FAAHTSHRRECQLNCF1ALDH1A1
SCHEMBL22208023 0.82 HRH3 (0.37) FAAHTSHRRECQLNCF1ALDH1A1
SCHEMBL22207993 0.81 CA2 (0.45) FAAHTSHRRECQLNCF1ALDH1A1

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