SCHEMBL3340672

SCHEMBL3340672

O=C(O)CC(CC1CO1)(CC1CO1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 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
SCHEMBL28015288 0.84 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL28112457 0.83 ALDH1A1 (0.34) ALDH1A1
SCHEMBL9549612 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL15716597 0.80 ALDH1A1 (0.44) ALDH1A1
SCHEMBL9154532 0.79 ALDH1A1 (0.32) ALDH1A1
SCHEMBL27814473 0.78 ALDH1A1 (0.54) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL11174584 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11777349 0.76 ALDH1A1 (0.37) ALDH1A1
SCHEMBL27835173 0.76
SCHEMBL8370245 0.74 TSHR (0.40) ALDH1A1TSHR

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-0545227-B1 Metallized polyester film capacitor MITSUBISHI POLYESTER FILM CORP (JP) 1999-01-27 EP claimed
US-20140142008-A1 Lubricant Compositions Comprising Epoxide Compounds BASF SE 2014-05-22 US disclosed
US-20100154294-A1 Additives for Fuel Oils TACK ROBERT D 2010-06-24 US disclosed