SCHEMBL23833697

SCHEMBL23833697

CCCC(CC(C)(C)C)C(C(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.43
AKR1A1 P14550 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA2 P00918 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
NFKB1 P19838 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SLC1A2 P43004 3/20 0.34
SLC1A1 P43005 3/20 0.34

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
SCHEMBL9619137 0.82 CHRM1 (0.55) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9619148 0.78 HDAC1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL15092111 0.77 ACACB (0.41) TDP1CA2GRIK1GRIK2GPR84
SCHEMBL5088090 0.76 CHRM1 (0.68) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL27701799 0.74 CHRM1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL27922525 0.71 CHRM1 (0.43) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7779103 0.71 GPR84 (0.55) CA2SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL7204731 0.71 GPR84 (0.55) CA2SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL28364272 0.71 GPR84 (0.55) CA2SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL5891398 0.69 TP53 (0.35) GRNSORT1MAPT

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
EP-4121408-A1 SYNTHESIS OF CAPSAICIN DERIVATIVES Axichem AB (NO) 2023-01-25 EP disclosed
WO-2021187992-A1 SYNTHESIS OF CAPSAICIN DERIVATIVES AXICHEM AS (NO) 2021-09-23 WO disclosed