SCHEMBL8419682

SCHEMBL8419682

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.46
PTPN1 P18031 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
SYK P43405 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL8919905 0.89 FDFT1 (0.41) FDFT1ALDH1A1HPGDHTT
SCHEMBL8417632 0.87 FDFT1 (0.60) FDFT1SYK
SCHEMBL8419593 0.85 FDFT1 (0.49) FDFT1ALDH1A1
SCHEMBL8419678 0.85 FDFT1 (0.39) FDFT1ALDH1A1LMNAHPGDHTT
SCHEMBL8920428 0.84 ALDH1A1 (0.36) FDFT1KDM4EALDH1A1LMNAHPGD
SCHEMBL8420062 0.83 FDFT1 (0.47) FDFT1
SCHEMBL8417805 0.83 FDFT1 (0.35) FDFT1KDM4EALDH1A1LMNAHPGD
SCHEMBL8420031 0.82 FDFT1 (0.42) FDFT1ALDH1A1LMNAHPGD
SCHEMBL8419759 0.80 FDFT1 (0.44) FDFT1ALDH1A1LMNA
SCHEMBL8417907 0.80 PHLPP2 (0.35) FDFT1KDM4EALDH1A1LMNA

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