SCHEMBL9688515

SCHEMBL9688515

COc1cc2csc(-c3nnnn3C(C)C(=O)O)c2c(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
ECE1 P42892 4/20 0.34
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
STING1 Q86WV6 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31

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
SCHEMBL9688526 0.78 ALDH1A1 (0.36) ALDH1A1HSD17B10KDM4EHPGDECE1
SCHEMBL9690031 0.76 TDP1 (0.40) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL9689940 0.76 TDP1 (0.40) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL9689975 0.74 GPR139 (0.37) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL9689971 0.73 ALDH1A1 (0.35) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL9688895 0.72 KDM4E (0.43) ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL9689482 0.71 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL9690657 0.68 NPSR1 (0.38) MAPTPOLB
SCHEMBL9689963 0.65 HDAC3 (0.43) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL9690025 0.64 PPARA (0.42) ALDH1A1KDM4EALOX15SMN1; SMN2NPC1

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