SCHEMBL8941684

SCHEMBL8941684

CS(=O)(=O)CCCCCOCCCCCS(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
MMP9 P14780 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.40
PLA2G2C Q5R387 1/20 0.40
CA1 P00915 13/20 0.35
CA2 P00918 13/20 0.35
CA9 Q16790 12/20 0.35
CA12 O43570 5/20 0.35
CA7 P43166 5/20 0.35
CA14 Q9ULX7 5/20 0.35
CA3 P07451 4/20 0.35
CA4 P22748 4/20 0.35
CA6 P23280 4/20 0.35
CA5A P35218 4/20 0.35
CA5B Q9Y2D0 4/20 0.35

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
SCHEMBL21357699 1.00 ALDH1A1 (0.42) ALDH1A1LMNAKDM4EUSP2MMP9
SCHEMBL20145783 0.86 PLA2G2C (0.50) TSHRPLA2G2CCA1CA2CA9
SCHEMBL14084554 0.85 ALDH1A1 (0.39) ALDH1A1LMNAKDM4EUSP2MMP9
SCHEMBL9185106 0.83 ALDH1A1 (0.50) ALDH1A1LMNAKDM4EUSP2MMP9
SCHEMBL5461072 0.83 ALDH1A1 (0.50) ALDH1A1LMNAKDM4EUSP2MMP9
SCHEMBL13574539 0.83 ALDH1A1 (0.33) ALDH1A1LMNAKDM4EUSP2MMP9
SCHEMBL14608856 0.80 TSHR (0.71) ALDH1A1LMNAKDM4EUSP2MMP9
SCHEMBL21616872 0.80 TSHR (0.71) ALDH1A1LMNAKDM4EUSP2MMP9
SCHEMBL777321 0.80 ALDH1A1 (0.52) ALDH1A1LMNAKDM4EUSP2MMP9
SCHEMBL27437136 0.79 ALDH1A1 (0.42) ALDH1A1LMNAKDM4EUSP2MMP9

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-5480568-A FOR LUBRICATING METAL CONTAINING SURFACES THE DOW CHEMICAL COMPANY (US) 1996-01-02 US disclosed