SCHEMBL8420486

SCHEMBL8420486

C=CCc1cc(OCC(=O)OCC)ccc1C#CC1C(O)C2CCN1CC2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.43
PTPN1 P18031 1/20 0.38
KDM4E B2RXH2 4/20 0.37
GAA P10253 3/20 0.37
HSD17B10 Q99714 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 5/20 0.35
HPGD P15428 3/20 0.35
POLB P06746 2/20 0.35
CASP1 P29466 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL8419593 0.86 FDFT1 (0.49) FDFT1GAAHSD17B10ALDH1A1POLB
SCHEMBL8420031 0.85 FDFT1 (0.42) FDFT1SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL8919905 0.84 FDFT1 (0.41) FDFT1GAASMN1; SMN2ALDH1A1HPGD
SCHEMBL8420062 0.84 FDFT1 (0.47) FDFT1
SCHEMBL8419682 0.84 FDFT1 (0.46) FDFT1PTPN1KDM4EALDH1A1HPGD
SCHEMBL8419833 0.83 PTPN1 (0.38) FDFT1PTPN1GAASMN1; SMN2ALDH1A1
SCHEMBL8418559 0.81 ATM (0.44) FDFT1KDM4EGAAHSD17B10SMN1; SMN2
SCHEMBL8419759 0.81 FDFT1 (0.44) FDFT1SMN1; SMN2ALDH1A1MEN1MAPK1
SCHEMBL8419863 0.80 FDFT1 (0.34) FDFT1KDM4E
SCHEMBL8419678 0.80 FDFT1 (0.39) FDFT1SMN1; SMN2ALDH1A1HPGDMAPK1

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-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed