SCHEMBL2479263

SCHEMBL2479263

CCCOC(CC(C(C)=O)C(=O)O)(OCCC)OCCC

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
EDNRB P24530 1/20 0.30
EDNRA P25101 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
SCHEMBL992975 0.89 ALDH1A1 (0.39)
SCHEMBL2531290 0.87 ALDH1A1 (0.38)
SCHEMBL916579 0.84 CYP3A4 (0.31)
SCHEMBL106375 0.74 ALDH1A1 (0.36)
SCHEMBL28426704 0.69 LMNA (0.32) LMNACHRM1AKR1A1CHRM3HTR2A
SCHEMBL8414187 0.68 NOS3 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL104905 0.68 LMNA (0.31) LMNACHRM1AKR1A1CHRM3HTR2A
SCHEMBL104422 0.68 LMNA (0.31) LMNACHRM1AKR1A1CHRM3HTR2A
SCHEMBL23071556 0.67 HCAR2 (0.38) LMNACHRM1AKR1A1CHRM3HTR2A
SCHEMBL6574609 0.65 CA2 (0.31) CHRM1AKR1A1CHRM3HTR2AHTR2C

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
EP-3733756-A1 TREAD RUBBER COMPOSITION FOR STUDLESS WINTER TIRES SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2020-11-04 EP disclosed
CN-107428212-B Tyre for vehicle wheels 株式会社普利司通 2020-03-31 CN disclosed
CN-110540687-A Rubber composition for tire and pneumatic tire SUMITOMO RUBBER IND 2019-12-06 CN disclosed
EP-2377693-A1 PNEUMATIC TIRE Bridgestone Corporation (JP) 2011-10-19 EP disclosed