SCHEMBL8790883

SCHEMBL8790883

Nc1ccsc1-c1nnnn1CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
KDM4C Q9H3R0 1/20 0.41
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
HSD11B1 P28845 2/20 0.35
HDAC6 Q9UBN7 3/20 0.34
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
CYP3A4 P08684 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
Hydrochloric Acid SCHEMBL8973452 0.99 ALDH1A1 (0.51) ALDH1A1HPGDKDM4CKMT2AGAA
SCHEMBL8792739 0.86 ALDH1A1 (0.52) ALDH1A1HPGDKDM4CKMT2AGAA
SCHEMBL8790380 0.86 ALDH1A1 (0.52) ALDH1A1HPGDKDM4CKMT2AGAA
SCHEMBL8790903 0.79 ALDH1A1 (0.46) ALDH1A1HPGDKDM4CKMT2AGAA
SCHEMBL8790745 0.77 ALDH1A1 (0.44) ALDH1A1HPGDKDM4CKMT2AHDAC6
SCHEMBL8791432 0.77 ALDH1A1 (0.52) ALDH1A1HPGDKDM4CKMT2AHSD11B1
SCHEMBL8791414 0.76 ALDH1A1 (0.43) ALDH1A1HPGDKDM4CKMT2A
SCHEMBL8790955 0.76 ALDH1A1 (0.51) ALDH1A1HPGDKDM4CKMT2AHSD11B1
SCHEMBL9690737 0.76 ALDH1A1 (0.54) ALDH1A1HPGDKDM4CKMT2AHSD11B1
SCHEMBL8790565 0.76 ALDH1A1 (0.43) ALDH1A1HPGDKMT2AGAASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421365-B1 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity WAKAMOTO PHARMA CO LTD (JP) 1997-03-05 EP disclosed
EP-0421365-A2 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity Wakamoto Pharmaceutical Co., Ltd. (JP) 1991-04-10 EP disclosed