SCHEMBL28255408

SCHEMBL28255408

CCCC(OCC(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.45
PPARA Q07869 4/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
CHRM1 P11229 1/20 0.44
AKR1A1 P14550 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
NFKB1 P19838 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GRIK1 P39086 1/20 0.35
SLC1A3 P43003 1/20 0.35

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
SCHEMBL7109126 0.88 CA2 (0.45) PPARGHDAC1HDAC2CHRM1AKR1A1
SCHEMBL9428021 0.84 GPR84 (0.50) TSHRGRIK1GRIK2CA2PAM
SCHEMBL28352239 0.84 GPR84 (0.50) TSHRGRIK1GRIK2CA2PAM
SCHEMBL27556838 0.82 SMN1; SMN2 (0.39) PPARAHDAC1HDAC2CHRM1AKR1A1
SCHEMBL25824 0.82 CHRM1 (0.48) PPARGPPARAHDAC1HDAC2CHRM1
SCHEMBL26940428 0.82 CHRM1 (0.48) PPARGPPARAHDAC1HDAC2CHRM1
SCHEMBL22577710 0.80 PPARG (0.41) PPARGPPARAHDAC1HDAC2CHRM1
SCHEMBL443490 0.80 PPARG (0.46) PPARGPPARAHDAC1HDAC2CHRM1
SCHEMBL28963165 0.80 TSHR (0.33) TSHR
SCHEMBL446541 0.79 CHRM1 (0.55) PPARGPPARAHDAC1HDAC2CHRM1

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-208263292-U A kind of sunglasses eyeglass 厦门珈昕偏光科技有限公司 2018-12-21 CN disclosed
CN-108913139-A Multi-wavelength excited illuminant and multi-wavelength excited display and identification method 大连海事大学 2018-11-30 CN disclosed