SCHEMBL28094929

SCHEMBL28094929

CCCOC(=O)/C=C\C=C/C(=O)OCCC

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.68
ATM Q13315 1/20 0.60
APP P05067 4/20 0.47
ALOX5 P09917 1/20 0.46
TSHR P16473 2/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
KDR P35968 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2946406 1.00 HCAR2 (0.68) HCAR2ATMAPPALOX5TSHR
SCHEMBL2946403 1.00 HCAR2 (0.68) HCAR2ATMAPPALOX5TSHR
SCHEMBL28094913 0.91 HCAR2 (0.77) HCAR2ATMAPPALOX5TSHR
SCHEMBL1658474 0.91 HCAR2 (0.59) HCAR2ATMAPPALOX5TSHR
SCHEMBL28094911 0.91 HCAR2 (0.77) HCAR2ATMAPPALOX5TSHR
SCHEMBL2946075 0.91 HCAR2 (0.59) HCAR2ATMAPPALOX5TSHR
Propionic Acid SCHEMBL28833389 0.91 HCAR2 (0.64) HCAR2ATMAPPALOX5TSHR
SCHEMBL2946078 0.91 HCAR2 (0.59) HCAR2ATMAPPALOX5TSHR
SCHEMBL28094914 0.91 HCAR2 (0.77) HCAR2ATMAPPALOX5TSHR
SCHEMBL1658476 0.91 HCAR2 (0.59) HCAR2ATMAPPALOX5TSHR

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
CN-105899484-A Chemical process for conversion of mucic acid to adipic acid 新加坡科技研究局 2016-08-24 CN disclosed