SCHEMBL11768699

SCHEMBL11768699

CC(C=O)c1ccc(OC2CCCCO2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TNK2 Q07912 3/20 0.35
HSD11B1 P28845 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC6A3 Q01959 8/20 0.34
ACACB O00763 1/20 0.33
DHFR P00374 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL11768228 0.86 MEN1 (0.38) MEN1KMT2ATNK2HSD11B1KDM4E
SCHEMBL11774258 0.84 DHFR (0.42) HSD11B1SLC6A3DHFR
SCHEMBL7231881 0.84 KMT2A (0.40) MEN1KMT2ATNK2HSD11B1SLC6A3
SCHEMBL7774785 0.84 KMT2A (0.40) MEN1KMT2ATNK2HSD11B1SLC6A3
SCHEMBL11767319 0.83 MEN1 (0.37) MEN1KMT2ATNK2HSD11B1KDM4E
SCHEMBL14839279 0.82 TNK2 (0.36) MEN1KMT2ATNK2HSD11B1SLC6A3
SCHEMBL9875684 0.81 HSD11B1 (0.39) MEN1KMT2ATNK2HSD11B1SLC6A3
SCHEMBL11771503 0.81 MEN1 (0.35) MEN1KMT2ATNK2HSD11B1KDM4E
SCHEMBL11769750 0.81 MEN1 (0.35) MEN1KMT2ATNK2HSD11B1KDM4E
SCHEMBL11767224 0.81 SLC6A3 (0.40) MEN1KMT2ATNK2HSD11B1KDM4E

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-3940407-A β-Adrenergic blocking agents in the 1,2,3-thiadiazole series SYNTEX (U.S.A.) INC. (US) 1976-02-24 US disclosed