SCHEMBL9407976

SCHEMBL9407976

CC(C)(C)OC(=O)N1CCC(N2CCC(C(=O)NN)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
PTPN6 P29350 1/20 0.52
CHRM1 P11229 2/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 1/20 0.48
EPHX1 P07099 1/20 0.47
STS P08842 8/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46

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
SCHEMBL315026 0.91 HPGD (0.60) HPGDPTPN2PTPN1PTPN6RECQL
SCHEMBL10177908 0.87 HPGD (0.54) HPGDPTPN2PTPN1PTPN6CHRM1
SCHEMBL16823903 0.87 HPGD (0.48) HPGDPTPN2PTPN1PTPN6RECQL
SCHEMBL15746875 0.84 HPGD (0.56) HPGDPTPN2PTPN1PTPN6RECQL
SCHEMBL14743631 0.84 HPGD (0.56) HPGDPTPN2PTPN1PTPN6RECQL
SCHEMBL316087 0.84 HPGD (0.56) HPGDPTPN2PTPN1PTPN6RECQL
SCHEMBL15487760 0.84 HPGD (0.56) HPGDPTPN2PTPN1PTPN6CHRM1
SCHEMBL4161964 0.82 HPGD (0.50) HPGDPTPN2PTPN1PTPN6CHRM1
SCHEMBL10177875 0.82 HPGD (0.51) HPGDPTPN2PTPN1PTPN6RECQL
SCHEMBL10177922 0.82 HPGD (0.51) HPGDPTPN2PTPN1PTPN6RECQL

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
EP-0608858-A1 5-Membered heterocycles as aggregation inhibitors Dr. Karl Thomae GmbH (DE) 1994-08-03 EP disclosed