SCHEMBL11257239

SCHEMBL11257239

NCC(=O)c1[c]cccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 2/20 0.33
CES2 O00748 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AKR1B1 P15121 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL7666645 0.83 TDP1 (0.33) CES1SMN1; SMN2MAPK1CYP3A4CYP1A2
SCHEMBL7516064 0.81 ALDH1A1 (0.48) CES1SMN1; SMN2MAPK1CES2KDM4E
SCHEMBL696680 0.81 GSK3B (0.48) CES1SMN1; SMN2MAPK1CYP3A4CES2
SCHEMBL989057 0.81 SMN1; SMN2 (0.42) CES1SMN1; SMN2MAPK1CYP3A4CES2
SCHEMBL3248948 0.79 CES1 (0.50) CES1SMN1; SMN2MAPK1CES2MEN1
SCHEMBL8407064 0.79 L3MBTL1 (0.50) CES1MEN1MAPTKMT2ATDP1
SCHEMBL3268222 0.79 MAPK1 (0.40) CES1SMN1; SMN2MAPK1CYP3A4CYP1A2
SCHEMBL1714625 0.78 PAM (0.32) CES1SMN1; SMN2MAPK1CYP3A4CES2
SCHEMBL2332592 0.78 HPGD (0.46) CES1SMN1; SMN2MAPK1CYP3A4CES2
SCHEMBL55042 0.77

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
EP-0047471-A1 Analysis element for immunochemical measurement of trace components and for enzyme assay and methods using the same FUJI PHOTO FILM CO., LTD. (JP) 1982-03-17 EP disclosed