SCHEMBL28625839

SCHEMBL28625839

CCCCOC(=O)OCCCC.CCOC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
ATM Q13315 1/20 0.48
HCAR2 Q8TDS4 3/20 0.47
TSHR P16473 5/20 0.45
HPGD P15428 1/20 0.45
NAAA Q02083 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SOAT1 P35610 1/20 0.41
ESR1 P03372 2/20 0.41
EPHX1 P07099 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR1H2 P55055 1/20 0.39
RNASEL Q05823 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL137933 0.89 ALDH1A1 (0.65) ALDH1A1ATMHCAR2TSHRHPGD
Hydrogen Peroxide SCHEMBL28081782 0.89 ALDH1A1 (0.64) ALDH1A1ATMHCAR2TSHRHPGD
Hydrogen Peroxide SCHEMBL28209879 0.89 ALDH1A1 (0.64) ALDH1A1ATMHCAR2TSHRHPGD
Methane SCHEMBL28468549 0.86 ALDH1A1 (0.62) ALDH1A1ATMHCAR2TSHRHPGD
SCHEMBL25428151 0.86 ALDH1A1 (0.55) ALDH1A1HCAR2TSHRTDP1SOAT1
Bicarbonate SCHEMBL23931577 0.86 ALDH1A1 (0.61) ALDH1A1ATMHCAR2TSHRHPGD
Bicarbonate SCHEMBL23931576 0.86 ALDH1A1 (0.61) ALDH1A1ATMHCAR2TSHRHPGD
SCHEMBL37837 0.86 ALDH1A1 (0.67) ALDH1A1ATMHCAR2TSHRHPGD
SCHEMBL3020150 0.84 ALDH1A1 (0.59) ALDH1A1ATMHCAR2TSHRHPGD
Acetic Acid SCHEMBL28020930 0.84 ALDH1A1 (0.65) ALDH1A1ATMHCAR2TSHRHPGD

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-113226289-A Extended release formulations of Human Chorionic Gonadotropin (HCG) 伊诺科雷技术控股有限公司 2021-08-06 CN disclosed