SCHEMBL14548729

SCHEMBL14548729

C=CCCCCCNC(=O)C1CC=CC1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ABCC4 O15439 1/20 0.35
MAPT P10636 1/20 0.35
DDAH1 O94760 2/20 0.34
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL1104020 0.74 POLB (0.40) POLBALDH1A1KMT2AABCC4MAPT
SCHEMBL3590647 0.74 POLB (0.40) POLBALDH1A1KMT2AABCC4MAPT
SCHEMBL10303857 0.73 POLB (0.43) POLBALDH1A1KMT2AABCC4MAPT
SCHEMBL14850987 0.71 POLB (0.35) POLBALDH1A1KMT2ATAAR1ABCC4
SCHEMBL17121284 0.68 POLB (0.41) POLBALDH1A1KMT2AABCC4MAPT
SCHEMBL30449957 0.68 MAPT (0.54) ALDH1A1ABCC4MAPTTSHRLMNA
SCHEMBL1469535 0.68 MAPT (0.54) ALDH1A1ABCC4MAPTTSHRLMNA
SCHEMBL4021318 0.68 MAPT (0.54) ALDH1A1ABCC4MAPTTSHRLMNA
SCHEMBL19215358 0.67 ALDH1A1 (0.42) POLBALDH1A1KMT2AABCC4MAPT
SCHEMBL14483836 0.66 POLB (0.97) POLBALDH1A1KMT2AGAATAAR1

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-8349869-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2013-01-08 US disclosed