SCHEMBL10794802

SCHEMBL10794802

CCC(C)Oc1ccc(OCCN(C(=O)C(C)=O)C(O)=S)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 1/20 0.41
ACACB O00763 2/20 0.40
MAPT P10636 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ESRRB O95718 1/20 0.35
MAPK1 P28482 1/20 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
SCHEMBL10794809 0.88 KDM4E (0.40) KDM4EALDH1A1KMT2AACACBMAPT
SCHEMBL10797559 0.85 ACACB (0.42) KDM4EALDH1A1KMT2AACACBMAPT
SCHEMBL10799508 0.84 KMT2A (0.39) KDM4EALDH1A1KMT2AACACBMAPT
SCHEMBL10794833 0.78 ACACB (0.41) ALDH1A1KMT2AACACBMAPT
SCHEMBL10797562 0.76 ACACB (0.40) KDM4EALDH1A1KMT2AACACBMAPT
SCHEMBL10799514 0.73 KMT2A (0.38) KDM4EALDH1A1KMT2AACACBMAPT
SCHEMBL10789714 0.73 ACACB (0.48) ACACBMAPT
SCHEMBL10795585 0.71 KMT2A (0.41) KDM4EALDH1A1KMT2AACACBHRH3
SCHEMBL10795538 0.71 ACACB (0.39) ALDH1A1KMT2AACACBMAPT
SCHEMBL9856429 0.70 ALDH1A1 (0.43) KDM4EALDH1A1KMT2AACACBMAPK1

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-4697033-A INSECTICIDES SANDOZ LTD. (CH) 1987-09-29 US claimed
US-4697033-A INSECTICIDES SANDOZ LTD. (CH) 1987-09-29 US disclosed