SCHEMBL9795189

SCHEMBL9795189

O=C(NCCN1CCCCC1)C1CCC(O)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.56
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
TSHR P16473 3/20 0.52
RECQL P46063 3/20 0.52
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
EPHX2 P34913 1/20 0.46
NPC1 O15118 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL9795181 1.00 ALOX15 (0.56) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL9795327 1.00 ALOX15 (0.56) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL9795126 0.98 ALOX15 (0.57) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL9795132 0.98 ALOX15 (0.57) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL9795359 0.98 ALOX15 (0.57) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL13661582 0.93 ALOX15 (0.61) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL19849339 0.88 ALOX15 (0.59) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL8488134 0.86 ALOX15 (0.54) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL13875530 0.83 SMN1; SMN2 (0.72) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL19010582 0.83 ALOX15 (0.54) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL

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-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed