SCHEMBL28602777

SCHEMBL28602777

CCCCCCCCCC(C)C(=O)O.CCCCCCCCCCCC(CCCCCCCCC)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 1/20 0.69
▸ GRIK1 P39086 2/20 0.58
▸ GRIK2 Q13002 2/20 0.58
▸ CA2 P00918 2/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ SLC1A2 P43004 2/20 0.55
▸ SLC1A1 P43005 2/20 0.55
▸ GPR84 Q9NQS5 3/20 0.53
▸ CA1 P00915 2/20 0.53
▸ FFAR1 O14842 2/20 0.53
▸ CHRM1 P11229 1/20 0.52
▸ AKR1A1 P14550 1/20 0.52
▸ CHRM3 P20309 1/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ HTR2C P28335 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ HRH1 P35367 1/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ HDAC1 Q13547 1/20 0.52

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
SCHEMBL29269939 1.00 ACE2 (0.69) ACE2GRIK1GRIK2CA2MAPK1
SCHEMBL28610194 1.00 ACE2 (0.69) ACE2GRIK1GRIK2CA2MAPK1
SCHEMBL29270048 0.96 ACE2 (0.65) ACE2GRIK1GRIK2CA2MAPK1
SCHEMBL1227281 0.96 ACE2 (0.63) ACE2GRIK1GRIK2CA2MAPK1
SCHEMBL10338800 0.94 ACE2 (0.66) ACE2GRIK1GRIK2CA2MAPK1
SCHEMBL3658267 0.92 CA2 (0.68) ACE2GRIK1GRIK2CA2MAPK1
SCHEMBL8685489 0.92 CA2 (0.68) ACE2GRIK1GRIK2CA2MAPK1
SCHEMBL30056298 0.92 CHRM1 (0.64) ACE2GRIK1GRIK2CA2MAPK1
SCHEMBL220905 0.92 ACE2 (0.80) ACE2GPR84CA1FFAR1MAPT
SCHEMBL6940082 0.92 ACE2 (0.80) ACE2GPR84CA1FFAR1MAPT

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-113195446-A Lubricating oil base oil for fluid dynamic bearing 新日本理化株式会社 2021-07-30 — — CN disclosed
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