SCHEMBL28977368

SCHEMBL28977368

CCCCCCOC(CCOc1ccccc1)C(O)CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.50
MLNR O43193 1/20 0.48
NR1I2 O75469 1/20 0.48
ESR1 P03372 1/20 0.48
NR3C1 P04150 1/20 0.48
PGR P06401 1/20 0.48
ADRB2 P07550 1/20 0.48
CHRM2 P08172 1/20 0.48
ADRB1 P08588 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD2 P14416 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
CHRM3 P20309 1/20 0.48
MAOA P21397 1/20 0.48
CNR1 P21554 1/20 0.48
SLC6A2 P23975 1/20 0.48

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
SCHEMBL8851805 0.82 LTA4H (0.54) LTA4HMLNRNR1I2ESR1NR3C1
Glycerin SCHEMBL10710982 0.80 LTA4H (0.62) LTA4HMLNRNR1I2ESR1NR3C1
Ethylene Glycol SCHEMBL9407085 0.80 LTA4H (0.70) LTA4HMLNRNR1I2ESR1NR3C1
Ethylene Glycol SCHEMBL4138590 0.80 LTA4H (0.70) LTA4HMLNRNR1I2ESR1NR3C1
Ethylene Glycol SCHEMBL969025 0.80 LTA4H (0.70) LTA4HMLNRNR1I2ESR1NR3C1
Ethylene Glycol SCHEMBL28213397 0.80 LTA4H (0.70) LTA4HMLNRNR1I2ESR1NR3C1
Ethylene Glycol SCHEMBL2126362 0.80 LTA4H (0.70) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL2593413 0.80 LTA4H (0.38) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL5963213 0.78 CYP2D6 (0.47) CNR1ALDH1A1LMNACYP3A4HTT
SCHEMBL139954 0.78 CYP2D6 (0.47) CNR1ALDH1A1LMNACYP3A4HTT

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
CN-115887307-A Sunscreen emulsion and preparation method thereof 江苏优度生物科技有限公司 2023-04-04 CN disclosed
CN-115844745-A Anti-wrinkle composition, application thereof and cosmetic 广州旭妆生物科技有限公司 2023-03-28 CN disclosed