SCHEMBL7611294

SCHEMBL7611294

CC(CCCO)(CCCO)C(=O)O.CC(CCO)(CCO)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
ARG2 P78540 3/20 0.37
FFAR1 O14842 2/20 0.37
GPR84 Q9NQS5 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
CAMK2A Q9UQM7 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
ARG1 P05089 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PPARA Q07869 1/20 0.33
ACLY P53396 1/20 0.33
CPT2 P23786 1/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
SMN1; SMN2 Q16637 2/20 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
SCHEMBL11415606 1.00 TSHR (0.42) TSHRCYP2D6CYP2C19HIF1ACYP4F2
SCHEMBL181323 0.95 TSHR (0.46) TSHRCYP2D6CYP2C19HIF1ACYP4F2
SCHEMBL181260 0.90 TSHR (0.50) TSHRCYP2D6CYP2C19HIF1ACYP4F2
SCHEMBL8574671 0.86 TSHR (0.39) TSHRCYP2D6CYP2C19HIF1AFFAR1
SCHEMBL11435514 0.86 TSHR (0.42) TSHRCYP2D6CYP2C19HIF1ACYP4F2
SCHEMBL11417008 0.84 CYP4F2 (0.41) TSHRCYP2D6CYP2C19HIF1ACYP4F2
SCHEMBL12801895 0.84 CYP4F2 (0.41) TSHRCYP2D6CYP2C19HIF1ACYP4F2
SCHEMBL28387319 0.82 CYP4F2 (0.44) TSHRCYP2D6CYP2C19HIF1ACYP4F2
SCHEMBL5963133 0.82 CYP2C19 (0.62) TSHRCYP2D6CYP2C19HIF1ACYP4F2
SCHEMBL2563173 0.81 CYP4F2 (0.37) TSHRCYP2D6CYP2C19HIF1ACYP4F2

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
US-20020182539-A1 Image-recording material FUJIFILM CORPORATION (JP) 2002-12-05 US disclosed