SCHEMBL8557989

SCHEMBL8557989

CCCC[C@@H]1CN(N)C[C@@H]1C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.31
GNAI1 P63096 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CTSK P43235 1/20 0.30
ELANE P08246 1/20 0.30
NR1H2 P55055 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
SCHEMBL8558324 0.94 ALOX5 (0.37) GNAI3GNAI1ALDH1A1POLBL3MBTL1
SCHEMBL8560594 0.91 ALDH1A1 (0.33) ALDH1A1NR1H2
SCHEMBL8698693 0.85 NR1H2 (0.33) NR1H2
SCHEMBL8560889 0.85 NR1H2 (0.33) NR1H2
SCHEMBL8563800 0.85 NR1H2 (0.33) NR1H2
SCHEMBL8558285 0.79
SCHEMBL8562259 0.76 CTSK (0.31) CTSK
SCHEMBL7502439 0.75 MAPK1 (0.36) NR1H2
SCHEMBL8564185 0.75 MAPK1 (0.36) NR1H2
SCHEMBL8560496 0.75 MAPK1 (0.36) NR1H2

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-5837868-A REACTION OF DIHYDROXY OLEFINS IN A MULTISTAGE PROCESS ARYL METHYLAMINE TO FORM PYRROLIDINE INTERMEDIATE ABBOTT LABORATORIES (US) 1998-11-17 US disclosed
US-5703244-A CYCLIZATION OF DIHYDROXY OLEFINS WITH TARTRATE ESTER IN PRESENCE OF TITANIUM ISOPROPOXIDE AND TERT-BUTYL HYDROPEROXIDE ABBOTT LABORATORIES (US) 1997-12-30 US disclosed