SCHEMBL13618589

SCHEMBL13618589

CCOC(=O)N1CCC2(C1)OCCO2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.51
TSHR P16473 3/20 0.50
ALDH1A1 P00352 6/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2C9 P11712 1/20 0.49
KMT2A Q03164 2/20 0.49
RECQL P46063 1/20 0.46
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL5023611 0.84 POLB (0.55) POLBTSHRALDH1A1CYP3A4CYP2C19
SCHEMBL10063079 0.80 POLB (0.52) POLBTSHRALDH1A1CYP3A4CYP2C19
SCHEMBL16992123 0.80 CHRM4 (0.50) POLBTSHRALDH1A1CYP3A4CYP2C19
SCHEMBL7094775 0.78 POLB (0.76) POLBTSHRALDH1A1CYP3A4CYP2C19
SCHEMBL9177983 0.78 TSHR (0.47) POLBTSHRALDH1A1KMT2ARECQL
SCHEMBL908529 0.77 MEN1 (0.59) POLBTSHRALDH1A1CYP2C19KMT2A
SCHEMBL17177194 0.77 TSHR (0.48) POLBTSHRALDH1A1KMT2ARECQL
SCHEMBL24348071 0.74 L3MBTL1 (0.49) POLBTSHRALDH1A1RECQLLMNA
SCHEMBL8188669 0.74 TSHR (0.55) POLBTSHRALDH1A1KMT2ARECQL
SCHEMBL15531169 0.73 KMT2A (0.44) POLBTSHRALDH1A1KMT2AMAPK1

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
WO-2009140467-A1 OXOBENZINDOLIZINOQUINOLINES AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2009-11-19 WO disclosed