SCHEMBL6722037

SCHEMBL6722037

O=C1OC=CC1C1CCCO1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL2299221 0.71 MAPT (0.31) MAPT
SCHEMBL9240436 0.65 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7231521 0.64 PLG (0.34) MAPT
SCHEMBL15095887 0.64 CHRM2 (0.46) MAPTALDH1A1CHRM2CHRM4CHRM5
SCHEMBL8515490 0.64 CHRM2 (0.46) MAPTALDH1A1CHRM2CHRM4CHRM5
SCHEMBL12700286 0.64 CHRM2 (0.46) MAPTALDH1A1CHRM2CHRM4CHRM5
SCHEMBL7515819 0.63
SCHEMBL31288930 0.63
SCHEMBL6722036 0.63 MAPT (0.42) MAPTALDH1A1GAANPC1LMNA
SCHEMBL16878420 0.62 CHRM2 (0.39) TSHRCHRM2CHRM4CHRM5CHRM1

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