SCHEMBL724008

SCHEMBL724008

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

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.64
CHRM1 P11229 1/20 0.64
TBXA2R P21731 1/20 0.64
ADRA1A P35348 1/20 0.64
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CPT2 P23786 2/20 0.40
ACLY P53396 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
FFAR1 O14842 1/20 0.38
HSPD1 P10809 1/20 0.34
BLM P54132 1/20 0.34
HSPE1 P61604 1/20 0.34
BHMT Q93088 3/20 0.33

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
SCHEMBL28715378 0.81 HMGCR (0.64) HMGCRCHRM1TBXA2RADRA1ACYP2C19
Meglutol SCHEMBL8718194 0.79 HMGCR (1.00) HMGCRCHRM1TBXA2RADRA1ACYP2C19
Meglutol SCHEMBL28443 0.79 HMGCR (1.00) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL28100112 0.77 HMGCR (0.58) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL7766103 0.76 HMGCR (0.56) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL28255843 0.74 ALDH1A1 (0.40) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL27556689 0.73 HMGCR (0.52) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL13813445 0.73 CHRM1 (0.52) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL13800594 0.73 HMGCR (0.52) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL12323030 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120048295-A1 CLEANING FORMULATION FOR REMOVING RESIDUES ON SURFACES FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2012-03-01 US disclosed
WO-2010104816-A1 CLEANING FORMULATION FOR REMOVING RESIDUES ON SURFACES FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2010-09-16 WO disclosed