SCHEMBL8501073

SCHEMBL8501073

CN1C(=O)[C@H](C[C]=O)O[C@@H](c2ccccc2Cl)c2cc(Cl)ccc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
PDE4D Q08499 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
FDFT1 P37268 7/20 0.37
CNR2 P34972 1/20 0.34
LMNA P02545 1/20 0.34
PDE3A Q14432 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
SCHEMBL8501068 1.00 OPRK1 (0.38) OPRK1CHRM2ADRA2APDE4DF2
SCHEMBL6953652 0.84 FDFT1 (0.52) FDFT1
SCHEMBL6953659 0.84 FDFT1 (0.52) FDFT1
SCHEMBL6953662 0.84 FDFT1 (0.52) FDFT1
SCHEMBL6954451 0.82 FDFT1 (0.43) FDFT1
SCHEMBL6952325 0.80 ALDH1A1 (0.47) FDFT1
SCHEMBL6952331 0.80 ALDH1A1 (0.47) FDFT1
SCHEMBL6963871 0.76 FDFT1 (0.40) FDFT1
SCHEMBL6963873 0.76 FDFT1 (0.40) FDFT1
SCHEMBL6963881 0.76 FDFT1 (0.40) FDFT1

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
US-5885979-A SQUALENE SYNTHETASE INHIBITOR TREATING OR PREVENTING HYPERLIPIDEMIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-23 US disclosed
US-5726306-A INHIBITORS OF SQUALENE SYNTHETASE AND FUNGAL GROWTH; USEFUL IN TREATING AND PREVENTING HYPERLIPIDEMIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-10 US disclosed