SCHEMBL28978095

SCHEMBL28978095

CCCCCCCCCCCCC(CCC)CC(CCC)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.59
GRIK2 Q13002 3/20 0.59
SLC1A2 P43004 3/20 0.56
SLC1A1 P43005 3/20 0.56
CHRM1 P11229 1/20 0.54
AKR1A1 P14550 1/20 0.54
CHRM3 P20309 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
ADRA1A P35348 1/20 0.54
HRH1 P35367 1/20 0.54
DRD3 P35462 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
SLC1A3 P43003 2/20 0.52
GPR84 Q9NQS5 5/20 0.50
FFAR1 O14842 1/20 0.50
MAPT P10636 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
SCHEMBL3813673 0.96 GRIK1 (0.64) GRIK1GRIK2SLC1A2SLC1A1CHRM1
SCHEMBL3127351 0.96 GRIK1 (0.64) GRIK1GRIK2SLC1A2SLC1A1CHRM1
SCHEMBL20873737 0.95 GRIK1 (0.62) GRIK1GRIK2SLC1A2SLC1A1CHRM1
SCHEMBL20918461 0.95 GRIK1 (0.62) GRIK1GRIK2SLC1A2SLC1A1CHRM1
SCHEMBL3813153 0.93 GRIK1 (0.61) GRIK1GRIK2SLC1A2SLC1A1CHRM1
SCHEMBL20767325 0.92 GRIK1 (0.68) GRIK1GRIK2SLC1A2SLC1A1CHRM1
SCHEMBL20767329 0.92 GRIK1 (0.68) GRIK1GRIK2SLC1A2SLC1A1CHRM1
SCHEMBL20767409 0.92 GRIK1 (0.68) GRIK1GRIK2SLC1A2SLC1A1CHRM1
SCHEMBL21248005 0.92 GRIK1 (0.68) GRIK1GRIK2SLC1A2SLC1A1CHRM1
SCHEMBL20767278 0.92 GRIK1 (0.68) GRIK1GRIK2SLC1A2SLC1A1CHRM1

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-110099682-B Coupled connector, cell binding molecule-drug conjugate containing same, and preparation and application thereof 杭州多禧生物科技有限公司 2023-03-31 CN disclosed