SCHEMBL11841018

SCHEMBL11841018

C=CCCOC(=O)COC(=O)Cl

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL347510 0.85
SCHEMBL11833138 0.79 TDP1 (0.49) TDP1ALDH1A1KDM4E
SCHEMBL11841020 0.76 ALDH1A1 (0.35) ALDH1A1LMNACA2CA9L3MBTL1
SCHEMBL2859071 0.76 TSHR (0.44) TDP1ALDH1A1LMNA
SCHEMBL2137245 0.74 ALDH1A1 (0.41) TDP1ALDH1A1LMNACA2CA9
SCHEMBL6719713 0.74
SCHEMBL6719721 0.74
SCHEMBL16116555 0.74 HTT (0.45) TDP1ALDH1A1LMNACA2CA9
SCHEMBL14052876 0.73 ALDH1A1 (0.33) TDP1ALDH1A1LMNACA2CA9
SCHEMBL47886 0.73 CA2 (0.42) ALDH1A1LMNACA2CA9L3MBTL1

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-3932448-A FUNGICIDES, MITICIDES E. I. DU PONT DE NEMOURS & COMPANY (US) 1976-01-13 US disclosed