SCHEMBL5246708

SCHEMBL5246708

CCCCNC(C)COC(=O)NC

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.49
ALOX15 P16050 1/20 0.42
ACHE P22303 14/20 0.42
CYP1A2 P05177 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL5247943 0.86 ACHE (0.59) EPHX1ALOX15ACHE
SCHEMBL5244936 0.85 ACHE (0.49) ALOX15ACHECHRNB2CHRNA4
SCHEMBL24088856 0.82 ALDH1A1 (0.45) ALOX15ACHEKDM4E
SCHEMBL5249607 0.82 CYP1A2 (0.42) EPHX1ALOX15ACHECYP1A2CHRNB2
SCHEMBL5244513 0.81 ACHE (0.39) ALOX15ACHECYP1A2KDM4E
SCHEMBL5244931 0.78 ACHE (0.58) EPHX1ALOX15ACHE
SCHEMBL11330025 0.77 TSHR (0.54) ALOX15ACHE
SCHEMBL5246251 0.76 ACHE (0.59) EPHX1ALOX15ACHE
SCHEMBL5246727 0.75 EPHX1 (0.41) EPHX1ALOX15ACHECYP1A2CHRNB2
SCHEMBL5246616 0.75 CHRNB2 (0.46) EPHX1ACHECYP1A2CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379598-B1 UNSATURATED COMPOUNDS CONTAINING CARBAMATE TERMINAL GROUPS OR UREA TERMINAL GROUPS BASF AG (DE) 2007-09-12 EP disclosed
US-6916854-B2 Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints BASF AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20040097642-A1 Unsaturated compounds containing carbamate terminal groups or urea terminal groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
EP-1379598-A1 UNSATURATED COMPOUNDS CONTAINING CARBAMATE TERMINAL GROUPS OR UREA TERMINAL GROUPS BASF AKTIENGESELLSCHAFT (DE) 2004-01-14 EP disclosed
WO-2002086000-A1 UNSATURATED COMPOUNDS CONTAINING CARBAMATE TERMINAL GROUPS OR UREA TERMINAL GROUPS BASF AKTIENGESELLSCHAFT (DE) 2002-10-31 WO disclosed