SCHEMBL4733870

SCHEMBL4733870

Cc1nc(C(=O)O)cn1CC1CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
P2RY14 Q15391 3/20 0.38
MDM2 Q00987 4/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
BRD4 O60885 1/20 0.34
KDM4C Q9H3R0 2/20 0.34
ICMT O60725 1/20 0.34
PTGIR P43119 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL4737130 0.92 NOTUM (0.37) NOTUMP2RY14MDM2KDM4C
SCHEMBL4737129 0.78 ACACB (0.31) NOTUM
Hydrochloric Acid SCHEMBL23389304 0.73 CYP11B2 (0.35) ALDH1A1LMNAL3MBTL1BRD4ICMT
SCHEMBL14786484 0.73 CYP11B2 (0.35) ALDH1A1LMNAL3MBTL1BRD4ICMT
SCHEMBL4734703 0.72 BRD4 (0.38) ALDH1A1RXFP1BRD4
SCHEMBL13732305 0.72 PKM (0.36) LMNAL3MBTL1RXFP1BRD4
SCHEMBL13736015 0.72 PKM (0.36) LMNAL3MBTL1RXFP1BRD4
SCHEMBL13735175 0.72 RXFP1 (0.36) P2RY14LMNAL3MBTL1RXFP1BRD4
SCHEMBL13736133 0.72 PKM (0.36) LMNAL3MBTL1RXFP1BRD4
SCHEMBL4734075 0.71 BRD4 (0.57) NOTUMP2RY14ALDH1A1LMNABRD4

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
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed