SCHEMBL11243579

SCHEMBL11243579

CCCCCCN(C)C(=O)N(C)CCN1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 11/20 0.45
THRA P10827 2/20 0.45
EPHX2 P34913 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
SIGMAR1 Q99720 1/20 0.40

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
Hydrochloric Acid SCHEMBL11244737 0.99 THRB (0.44) THRBTHRAEPHX2ALDH1A1MEN1
SCHEMBL3673101 0.81 GLA (0.46) ALDH1A1MEN1KMT2A
SCHEMBL2811457 0.81 GLA (0.44) THRBTHRAALDH1A1MEN1KMT2A
SCHEMBL21120552 0.80 MAPK1 (0.44) THRBTHRAALDH1A1SIGMAR1
SCHEMBL20333442 0.80 MAPK1 (0.44) THRBTHRAALDH1A1SIGMAR1
SCHEMBL11251853 0.79 HRH2 (0.44) THRBEPHX2SIGMAR1
SCHEMBL11253929 0.78 HTR1A (0.49) THRBEPHX2ALDH1A1SIGMAR1
SCHEMBL21816623 0.77 LMNA (0.51) THRBTHRAALDH1A1KMT2ASIGMAR1
SCHEMBL24784205 0.77 KMT2A (0.49) THRBTHRAALDH1A1MEN1KMT2A
SCHEMBL20625249 0.77 EPHX2 (0.62) EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0008696-A1 Basically substituted urea compounds, process for producing the same and pharmaceutical compositions containing the same Asta-Werke Aktiengesellschaft Chemische Fabrik (DE) 1980-03-19 EP claimed
EP-0008696-B1 BASICALLY SUBSTITUTED UREA COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Asta-Werke Aktiengesellschaft Chemische Fabrik (DE) 1982-12-15 EP disclosed
US-4239761-A VIRICIDES ASTA-WERKE AKTIENGESELLSCHAFT, CHEMISCHE FABRIK (DE) 1980-12-16 US disclosed
EP-0008696-A1 Basically substituted urea compounds, process for producing the same and pharmaceutical compositions containing the same Asta-Werke Aktiengesellschaft Chemische Fabrik (DE) 1980-03-19 EP disclosed