SCHEMBL6403891

SCHEMBL6403891

CCC(O)(CC(=O)O)OC(O)(CC)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.46
CHRM1 P11229 1/20 0.46
TBXA2R P21731 1/20 0.46
ADRA1A P35348 1/20 0.46
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
ACLY P53396 3/20 0.38
FFAR3 O14843 2/20 0.36
CPT2 P23786 2/20 0.34
KDM4E B2RXH2 1/20 0.34
FFAR1 O14842 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HSPD1 P10809 1/20 0.32

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
SCHEMBL4076704 0.83 HMGCR (0.44) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL325665 0.74 TSHR (0.37) ALDH1A1TSHRTDP1
SCHEMBL11403620 0.70
SCHEMBL2421001 0.70 HMGCR (0.52) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL380759 0.70 HMGCR (0.52) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL13768709 0.70 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL52141 0.69 ALDH1A1 (0.43) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL380313 0.69
SCHEMBL12323030 0.69
SCHEMBL16124095 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939960-B2 Cellulose ethers WOLFF WALSRODE AG (DE) 2005-09-06 US disclosed
US-20030032798-A1 Novel cellulose ethers DOW GLOBAL TECHNOLOGIES LLC 2003-02-13 US disclosed
US-6482940-B1 Cellulose ethers and method for producing the same WOLFF WALSRODE AG (DE) 2002-11-19 US disclosed
EP-0996641-B1 NOVEL CELLULOSE ETHERS AND METHOD FOR PRODUCING THE SAME WOLFF WALSRODE AG (DE) 2001-06-27 EP disclosed
EP-0996641-A1 NOVEL CELLULOSE ETHERS AND METHOD FOR PRODUCING THE SAME Wolff Walsrode AG (DE) 2000-05-03 EP disclosed
WO-1999003891-A1 NOVEL CELLULOSE ETHERS AND METHOD FOR PRODUCING THE SAME WOLFF WALSRODE AG (DE) 1999-01-28 WO disclosed