SCHEMBL7909118

SCHEMBL7909118

O=C1OCC[C@@H]1C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
ALDH1A1 P00352 3/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HPGD P15428 2/20 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
SCHEMBL11857778 1.00 MAPT (0.32) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL2299371 1.00 MAPT (0.32) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL31547150 0.98 ALDH1A1 (0.32) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL11858505 0.98 ALDH1A1 (0.32) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL24603326 0.91 ALDH1A1 (0.30) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL3859583 0.91 ALDH1A1 (0.30) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL3859581 0.91 ALDH1A1 (0.30) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL28878206 0.89 MAPT (0.31) MAPT
SCHEMBL11869711 0.89 MAPT (0.31) MAPT
SCHEMBL30053313 0.89 MAPT (0.31) MAPT

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-6207862-B1 PRECURSORS ARE CHIRAL 4-HYDROXYCARBOXAMIDES, 4-HYDROXYHYDROXAMIC ACIDS, OR 4-HYDROXYHYDRAZIDES PRODUCED FROM GAMMA-LACTONES, WHICH IN TURN ARE DERIVED FROM 1,4-DIOLS BY STEREOSELECTIVE OXIDATION, BIOCATALYTICS, INC. 2001-03-27 US disclosed
WO-1999032649-A1 METHODS AND PRECURSORS FOR THE PRODUCTION OF CHIRAL 1,3-AMINOALCOHOLS BIOCATALYTICS, INC. (US) 1999-07-01 WO disclosed