SCHEMBL6722036

SCHEMBL6722036

O=C1OCCC1C1CCCO1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
TSHR P16473 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
SCHEMBL16802426 0.79 MAPT (0.33) MAPTALDH1A1GAANPC1LMNA
SCHEMBL8001744 0.75 MAPT (0.42) MAPTALDH1A1GAANPC1LMNA
SCHEMBL19293454 0.74
SCHEMBL11843782 0.72 PRSS1 (0.30)
SCHEMBL17896468 0.72 MAPT (0.43) MAPTALDH1A1GAANPC1LMNA
SCHEMBL6393954 0.72 MAPT (0.34) MAPTALDH1A1GAANPC1LMNA
SCHEMBL31547150 0.71 ALDH1A1 (0.32) MAPTALDH1A1
SCHEMBL11858505 0.71 ALDH1A1 (0.32) MAPTALDH1A1
SCHEMBL6719545 0.71 ALDH1A1 (0.33) ALDH1A1LMNATSHR
SCHEMBL23293607 0.71 MAPT (0.39) MAPTALDH1A1GAANPC1LMNA

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
WO-2004033462-A2 METHOD OF PREPARING (3R, 3aS, 6aR) -3- HYDROXYHEXAHYDROFURO [2, 3-b] FURAN AND RELATED COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2004-04-22 WO disclosed