SCHEMBL28035228

SCHEMBL28035228

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
TSHR P16473 3/20 0.38
TP53 P04637 1/20 0.38
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
TET2 Q6N021 1/20 0.33
LMNA P02545 1/20 0.32
SLC15A2 Q16348 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TRPA1 O75762 1/20 0.30
ACLY P53396 2/20 0.30
FFAR3 O14843 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 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
SCHEMBL6739152 0.78 ALDH1A1 (0.52) ALDH1A1TSHRTP53HMGCRCHRM1
SCHEMBL18710807 0.76 ALDH1A1 (0.40) ALDH1A1TSHRTP53HMGCRCHRM1
SCHEMBL28305996 0.75 ACLY (0.37) ALDH1A1TSHRTP53HMGCRCHRM1
SCHEMBL9733363 0.75
SCHEMBL15755909 0.72 ALDH1A1 (0.40) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL371923 0.72
SCHEMBL5145947 0.72 ALDH1A1 (0.60) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL7861273 0.72 ALDH1A1 (0.36) ALDH1A1TSHRTP53CYP2D6CYP2C19
SCHEMBL48036 0.71
SCHEMBL2996525 0.70 TET2 (0.56) ALDH1A1TSHRHMGCRCHRM1TBXA2R

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
CN-104931642-A Rapid multi-information thin-layer identification method of fructus forsythiae medical material and water extract of fructus forsythiae medical material HEBEI UNIVERSITY OF CHINESE MEDICINE 2015-09-23 CN disclosed