SCHEMBL8950385

SCHEMBL8950385

CC(OS(C)(=O)=O)C(COS(C)(=O)=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL2058139 0.74 ALDH1A1 (0.42) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL10431030 0.74 CYP24A1 (0.39) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL3395529 0.73 ALDH1A1 (0.38) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL13517494 0.70 ALDH1A1 (0.48) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL16480970 0.70 ALDH1A1 (0.48) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL575554 0.70 ALDH1A1 (0.48) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL14778160 0.69 ALDH1A1 (0.58) ALDH1A1USP2TSHR
SCHEMBL25699728 0.69 ALDH1A1 (0.58) ALDH1A1USP2TSHR
SCHEMBL7785269 0.69 ALDH1A1 (0.58) ALDH1A1USP2TSHR
SCHEMBL14779604 0.69 ALDH1A1 (0.46) ALDH1A1

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
US-5502073-A INSECTICIDES OR ANTHELMINTICS THE WELLCOME FOUNDATION (GB) 1996-03-26 US disclosed
EP-0294229-A2 Novel heterocyclic pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1988-12-07 EP disclosed