SCHEMBL11769693

SCHEMBL11769693

CCCC(C=O)c1ccc(OC2CCCCO2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TNK2 Q07912 3/20 0.33
DHFR P00374 1/20 0.33
HSD11B1 P28845 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GPR88 Q9GZN0 1/20 0.32
SLC6A3 Q01959 3/20 0.32
FFAR1 O14842 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ACP1 P24666 1/20 0.31
PTPN1 P18031 1/20 0.31
ACACB O00763 1/20 0.31
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL11768984 0.93 MEN1 (0.37) MEN1KMT2ATNK2DHFRHSD11B1
SCHEMBL11767319 0.90 MEN1 (0.37) MEN1KMT2ATNK2DHFRHSD11B1
SCHEMBL3399327 0.81 SLC6A3 (0.38) MEN1KMT2ASLC6A3FFAR1ALDH1A1
SCHEMBL28879496 0.81 MEN1 (0.35) MEN1KMT2ATNK2DHFRHSD11B1
SCHEMBL11768699 0.81 MEN1 (0.36) MEN1KMT2ATNK2DHFRHSD11B1
SCHEMBL13743728 0.79 MEN1 (0.33) MEN1KMT2ATNK2DHFRHSD11B1
SCHEMBL13743704 0.79 SLC6A3 (0.34) MEN1KMT2ATNK2DHFRHSD11B1
SCHEMBL13743997 0.79 MEN1 (0.34) MEN1KMT2ATNK2DHFRHSD11B1
SCHEMBL11768228 0.79 MEN1 (0.38) MEN1KMT2ATNK2DHFRHSD11B1
SCHEMBL13350347 0.78 MEN1 (0.36) MEN1KMT2ATNK2DHFRHSD11B1

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