SCHEMBL9469007

SCHEMBL9469007

COc1ccc2ccccc2c1-c1nnnn1CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD11B1 P28845 2/20 0.44
ABCB1 P08183 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
PTGS2 P35354 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
CMA1 P23946 1/20 0.40
CTSD P07339 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL9468974 0.79 MAPT (0.45) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL9469700 0.76 ALDH1A1 (0.51) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL8947235 0.74 ALDH1A1 (0.59) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL9469451 0.71 ALDH1A1 (0.62) ALDH1A1KMT2AHPGDHSD11B1KDM4C
SCHEMBL9689917 0.71 ALDH1A1 (0.48) ALDH1A1KMT2AHPGDRAB9AHSD11B1
SCHEMBL9568847 0.71 ALDH1A1 (0.48) MAPTALDH1A1KMT2AHPGDRAB9A
SCHEMBL5966693 0.71 ALDH1A1 (0.74) ALDH1A1HPGDHSD11B1KDM4CTSHR
SCHEMBL2521660 0.71 MAPT (0.65) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL8947137 0.70 ALDH1A1 (0.53) MAPTALDH1A1HPGDSMN1; SMN2HSD11B1
SCHEMBL5966725 0.70 ALDH1A1 (0.68) ALDH1A1HPGDRAB9ASMN1; SMN2HSD11B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4244070-A None JP disclosed
US-5252592-A Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1993-10-12 US disclosed
JP-H04244070-A TETRAZOLE ACETIC ACID DERIVATIVE HAVING ALDOSE REDUCTASE INHIBITORY ACTIVITY WAKAMOTO PHARMACEUT CO LTD 1992-09-01 JP disclosed