SCHEMBL11846292

SCHEMBL11846292

CCOC(=O)N(C)C1CCCN(C2c3ccccc3Oc3ccccc32)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ CHRM2 P08172 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ LMNA P02545 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ POLB P06746 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ APAF1 O14727 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ BCHE P06276 2/20 0.38
▸ USP2 O75604 2/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL11842297 0.88 TSHR (0.45) KDM4ETSHRCHRM2CHRM1CHRM3
SCHEMBL11846912 0.86 TSHR (0.44) KDM4ETSHRCHRM2CHRM1CHRM3
SCHEMBL11850013 0.85 CHRM2 (0.46) KDM4ETSHRCHRM2CHRM1CHRM3
SCHEMBL11855903 0.79 KDM4E (0.43) KDM4ETSHRCHRM2CHRM1CHRM3
SCHEMBL11846257 0.79 TSHR (0.46) KDM4ETSHRCHRM2CHRM1CHRM3
Sulfuric Acid SCHEMBL11852585 0.78 TSHR (0.41) KDM4ETSHRCHRM2CHRM1CHRM3
SCHEMBL11851912 0.77 TSHR (0.42) KDM4ETSHRMEN1KMT2AUSP2
SCHEMBL11847979 0.75 TSHR (0.40) KDM4ETSHRCHRM2CHRM1CHRM3
SCHEMBL11838006 0.73 MAPT (0.39) KDM4ETSHRCHRM2CHRM1CHRM3
SCHEMBL11841086 0.73 USP2 (0.39) KDM4ETSHRCHRM2CHRM1CHRM3

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-3980788-A XANTHENYL COMPOUNDS SMITHKLINE CORPORATION (US) 1976-09-14 — — US disclosed
Send feedback