SCHEMBL9263240

SCHEMBL9263240

COC(=O)CCc1ccc(CCNC(C)=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.68
KDM4E B2RXH2 2/20 0.64
F13A1 P00488 1/20 0.64
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
PTGS1 P23219 1/20 0.54
BLM P54132 1/20 0.54
HIF1A Q16665 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ACACB O00763 4/20 0.52
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50

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
SCHEMBL9331570 0.89 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EF13A1ALDH1A1LMNA
SCHEMBL11472210 0.87 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EF13A1ALDH1A1LMNA
SCHEMBL9661496 0.87 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EF13A1ALDH1A1LMNA
SCHEMBL1916566 0.86 KMT2A (0.54) SMN1; SMN2KDM4EF13A1ALDH1A1MAPT
SCHEMBL22922181 0.85 CYP4F2 (0.59) ALDH1A1LMNAMAPTHSD17B10
SCHEMBL10592850 0.85 KDM4E (0.84) SMN1; SMN2KDM4EF13A1ALDH1A1LMNA
SCHEMBL9331035 0.84 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EF13A1ALDH1A1LMNA
SCHEMBL11473795 0.82 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EF13A1ALDH1A1LMNA
SCHEMBL11133179 0.82 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EF13A1ALDH1A1LMNA
SCHEMBL11471927 0.82 KDM4E (0.68) SMN1; SMN2KDM4EF13A1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5407951-A Anticoagulants, muscle relaxants, bronchodilators BOEHRINGER MANNHEIM GMBH (DE) 1995-04-18 US disclosed
US-5140038-A Thromboxane A2 antagonists BOEHRINGER MANNHEIM GMBH (DE) 1992-08-18 US disclosed