SCHEMBL8616689

SCHEMBL8616689

CCC(C(=O)O)C(O)CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
CHRM1 P11229 1/20 0.41
AKR1A1 P14550 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
CA2 P00918 1/20 0.35
MAPK1 P28482 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
FFAR1 O14842 1/20 0.34
OR51E2 Q9H255 1/20 0.33
LMNA P02545 1/20 0.32
PDE4A P27815 1/20 0.32
TP53 P04637 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
SCHEMBL16467960 1.00 TDP1 (0.41) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL28646109 0.84 TDP1 (0.44) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL1716610 0.84 TDP1 (0.54) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3700076 0.84 TDP1 (0.54) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3073651 0.81 PDE4A (0.44) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3064788 0.81 PDE4A (0.44) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3064781 0.81 PDE4A (0.44) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL1895730 0.81 PDE4A (0.44) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL8619966 0.81 CA2 (0.45) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3837519 0.80 TDP1 (0.42) TDP1CHRM1AKR1A1CHRM3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113594465-A Negative electrode binder and preparation method and application thereof 苏州清陶新能源科技有限公司 2021-11-02 CN disclosed
US-5760022-A ESTER, ETHER PERSTORP AB (SE) 1998-06-02 US disclosed
EP-0797443-A1 A PHARMACEUTICAL COMPOSITION WITH IMPROVED BIO-AVAILABILITY OF INOSITOL PHOSPHATE PERSTORP AB (SE) 1997-10-01 EP disclosed
WO-1995019775-A1 A PHARMACEUTICAL COMPOSITION WITH IMPROVED BIO-AVAILABILITY OF INOSITOL PHOSPHATE PERSTORP AB (SE) 1995-07-27 WO disclosed