SCHEMBL9688526

SCHEMBL9688526

COc1cc2cc(-c3nnnn3C(C)C(=O)O)sc2c(OC)c1OC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 2/20 0.32
FGFR1 P11362 1/20 0.32
MAPT P10636 1/20 0.32
STING1 Q86WV6 5/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ECE1 P42892 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL9688515 0.78 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9690025 0.75 PPARA (0.42) ALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL9689963 0.74 HDAC3 (0.43) ALDH1A1KDM4EHPGDMAPT
SCHEMBL9688900 0.73 KDM4E (0.41) ALDH1A1KDM4EHPGDLMNA
SCHEMBL9689940 0.64 TDP1 (0.40) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL11359304 0.61 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL28711075 0.61 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDL3MBTL1LMNA
SCHEMBL9688521 0.61 SIGMAR1 (0.38) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL9689439 0.61 KDM4E (0.45) ALDH1A1KDM4EHPGDL3MBTL1MAPT
SCHEMBL9689398 0.60 TDP1 (0.41) ALDH1A1KDM4EHPGDHSD17B10SMN1; 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
EP-0506011-A1 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-09-30 EP disclosed