SCHEMBL11726248

SCHEMBL11726248

CC(C)(C)CC(C)(C)NC(=N)NC(=O)NCCCN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ EPHX1 P07099 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ DUSP3 P51452 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL11726251 0.85 ALDH1A1 (0.46) LMNASMN1; SMN2GAAEPHX1ALDH1A1
SCHEMBL11728176 0.80 GAA (0.55) LMNASMN1; SMN2GAAEPHX1ALDH1A1
SCHEMBL11724964 0.77 ALDH1A1 (0.52) LMNASMN1; SMN2GAAEPHX1ALDH1A1
SCHEMBL11725878 0.77 ALDH1A1 (0.52) LMNASMN1; SMN2GAAEPHX1ALDH1A1
SCHEMBL11723512 0.77 ALDH1A1 (0.52) LMNASMN1; SMN2GAAEPHX1ALDH1A1
SCHEMBL11748115 0.77 ALDH1A1 (0.52) LMNASMN1; SMN2GAAEPHX1ALDH1A1
SCHEMBL11728255 0.77 ALDH1A1 (0.52) LMNASMN1; SMN2GAAEPHX1ALDH1A1
Hydrochloric Acid SCHEMBL11747782 0.76 ALDH1A1 (0.51) LMNASMN1; SMN2GAAEPHX1ALDH1A1
SCHEMBL11730338 0.76 GAA (0.56) LMNASMN1; SMN2GAAEPHX1ALDH1A1
SCHEMBL2347336 0.75 GAA (0.70) LMNASMN1; SMN2GAAEPHX1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4045483-A BACTERICIDES, FUNGICIDES STERLING DRUG INC. (US) 1977-08-30 — — US disclosed
US-4009163-A BACTERICIDES, FUNGICIDES STERLING DRUG INC. (US) 1977-02-22 — — US disclosed
US-3988370-A BACTERICIDES, FUNGICIDES STERLING DRUG INC. (US) 1976-10-26 — — US disclosed
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