SCHEMBL28296366

SCHEMBL28296366

CCCCC(=CNS(=O)(=O)c1ccccc1)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 2/20 0.44
EPHX2 P34913 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
KAT6A Q92794 1/20 0.40
METAP2 P50579 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TBXA2R P21731 2/20 0.40
GHSR Q92847 1/20 0.39
KMT2A Q03164 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39

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
SCHEMBL28038575 0.75 ALDH1A1 (0.49) ALDH1A1GAAHPGDTSHREPHX2
SCHEMBL7973750 0.73 ALDH1A1 (0.42) ALDH1A1GAAHPGDEPHX2SMN1; SMN2
SCHEMBL7973747 0.73 ALDH1A1 (0.42) ALDH1A1GAAHPGDEPHX2SMN1; SMN2
SCHEMBL2811495 0.72 CES2 (0.40) ALDH1A1HPGDEPHX2KDM4EL3MBTL1
SCHEMBL2811493 0.72 CES2 (0.40) ALDH1A1HPGDEPHX2KDM4EL3MBTL1
SCHEMBL3035997 0.72 CES2 (0.40) ALDH1A1HPGDEPHX2KDM4EL3MBTL1
SCHEMBL14865509 0.72 ALDH1A1 (0.63) ALDH1A1GAAHPGDTSHREPHX2
SCHEMBL2187658 0.71 LMNA (0.55) EPHX2KMT2AEGFR
SCHEMBL2187664 0.71 LMNA (0.55) EPHX2KMT2AEGFR
SCHEMBL2187654 0.71 LMNA (0.55) EPHX2KMT2AEGFR

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-105384867-B A kind of polymer preparing hydrophobicity artificial lens 广东东阳光药业有限公司 2019-05-24 CN claimed