SCHEMBL4688277

SCHEMBL4688277

CCCCC1CC(c2ccc(C(=O)O)cc2)=CCN1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RARA P10276 1/20 0.43
MAPT P10636 1/20 0.43
MTOR P42345 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PLA2G4B P0C869 2/20 0.37
PTPN11 Q06124 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36

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
SCHEMBL4676585 0.73 CDK9 (0.33)
SCHEMBL10930750 0.72 RARB (0.46) RARBMEN1ALDH1A1RARAMAPT
Hydrochloric Acid SCHEMBL9874843 0.72 SIGMAR1 (0.45) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL10930643 0.71 RARB (0.48) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL9868832 0.69 SIGMAR1 (0.39)
SCHEMBL6648243 0.69 SIGMAR1 (0.36)
SCHEMBL10931237 0.68 RARB (0.47) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL10928793 0.68 RARB (0.49) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL10930048 0.68 RARB (0.48) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL10930250 0.68 RARB (0.48) RARBMEN1ALDH1A1RARAMAPT

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