SCHEMBL9813669

SCHEMBL9813669

O=C1OCC1C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
MAPT P10636 5/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 3/20 0.30
RAB9A P51151 2/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9813666 0.98 MAPT (0.33) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL728783 0.83 ALDH1A1 (0.32) ALDH1A1
SCHEMBL8815894 0.83 ALDH1A1 (0.32) ALDH1A1
SCHEMBL47305 0.83 ALDH1A1 (0.32) ALDH1A1
SCHEMBL8444553 0.83 ALDH1A1 (0.32) ALDH1A1
SCHEMBL13253702 0.83 ALDH1A1 (0.32) ALDH1A1
SCHEMBL6383420 0.83 ALDH1A1 (0.32) ALDH1A1
SCHEMBL16116751 0.83 ALDH1A1 (0.32) ALDH1A1
SCHEMBL20715180 0.83 ALDH1A1 (0.32) ALDH1A1
SCHEMBL13618315 0.83 ALDH1A1 (0.32) ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219199-B1 METHOD FOR PREPARATION OF LACTONES COULSTON INTERNATIONAL CORPORATION (US) 1991-07-31 EP disclosed
US-4772728-A AND ALDEHYDE ANGUS CHEMICAL COMPANY (US) 1988-09-20 US disclosed
EP-0219199-A1 Method for preparation of lactones COULSTON INTERNATIONAL CORPORATION (US) 1987-04-22 EP disclosed