SCHEMBL4688699

SCHEMBL4688699

COc1cc([N+](=O)[O-])ccc1Oc1ccc(CNC(=O)c2ccc(O[C@]34CCC[C@H](CC3)N4C(=O)O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.42
MMP2 P08253 1/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
FFAR1 O14842 1/20 0.41
MEN1 O00255 1/20 0.40
CRHBP P24387 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40
KCNH2 Q12809 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4688703 0.84 MEN1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AKCNH2
SCHEMBL4237116 0.80 MEN1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4236537 0.76 MAPT (0.44) ALDH1A1MEN1KMT2AMAPT
SCHEMBL4231972 0.75 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AKCNH2
SCHEMBL4226767 0.75 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2AKCNH2
SCHEMBL4235504 0.74 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AKCNH2
SCHEMBL4233730 0.74 KCNH2 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2AKCNH2
SCHEMBL4236267 0.73 KCNH2 (0.36) ALDH1A1MEN1KMT2AKCNH2
SCHEMBL4229257 0.68 TTR (0.69) ALDH1A1MEN1KMT2AMAPT
SCHEMBL4683665 0.66 MEN1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed