SCHEMBL11248486

SCHEMBL11248486

COC([C]=O)=Cc1ccc(OS(=O)(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 1/20 0.39
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
APEX1 P27695 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PKM P14618 1/20 0.35
EGFR P00533 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
STS P08842 2/20 0.34
AKR1C3 P42330 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
SCHEMBL11343843 0.75 ABCG2 (0.41) CISD1ALDH1A1KDM4EEGFRLMNA
SCHEMBL10935864 0.75 ABCG2 (0.41) CISD1ALDH1A1KDM4EEGFRLMNA
SCHEMBL8372651 0.74 ALDH1A1 (0.44) ALDH1A1TSHRAKR1C3
SCHEMBL2203599 0.74 ALDH1A1 (0.44) ALDH1A1TSHRAKR1C3
SCHEMBL4786918 0.74 ALDH1A1 (0.44) ALDH1A1TSHRAKR1C3
SCHEMBL11038949 0.72 ABCG2 (0.39) CISD1ALDH1A1KDM4EEGFRLMNA
SCHEMBL11038951 0.72 ABCG2 (0.39) CISD1ALDH1A1KDM4EEGFRLMNA
SCHEMBL15649102 0.72 CISD1 (0.65) CISD1ALDH1A1KDM4EHPGDMAPT
SCHEMBL7910581 0.71 GLA (0.53) CISD1GLAGAASTSCA1
SCHEMBL2017583 0.71 GSK3B (0.44) CISD1MAPTEGFRLMNACA12

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
US-4357331-A 7αMethoxycephalosporin derivatives MEIJI SEIKA KAISHA, LTD. (JP) 1982-11-02 US disclosed