SCHEMBL9795359

SCHEMBL9795359

O=C(NCCN1CCCC1)[C@H]1CC[C@@H](O)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.57
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 2/20 0.51
RECQL P46063 1/20 0.50
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
EPHX2 P34913 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43

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
SCHEMBL9795132 1.00 ALOX15 (0.57) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL9795126 1.00 ALOX15 (0.57) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL9795327 0.98 ALOX15 (0.56) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL9795181 0.98 ALOX15 (0.56) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL9795189 0.98 ALOX15 (0.56) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL13661582 0.91 ALOX15 (0.61) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL19849339 0.86 ALOX15 (0.59) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL8488134 0.84 ALOX15 (0.54) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL12820428 0.83 ALOX15 (0.53) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL
Oxalic Acid SCHEMBL9795524 0.82 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TSHRL3MBTL1MEN1

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