SCHEMBL7717787

SCHEMBL7717787

CCCCCCCCCCCCCCCCC(CN)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.65
GRIK2 Q13002 2/20 0.65
SLC1A2 P43004 2/20 0.61
SLC1A1 P43005 2/20 0.61
CA2 P00918 2/20 0.57
MAPK1 P28482 1/20 0.57
GPR84 Q9NQS5 3/20 0.55
FFAR1 O14842 1/20 0.55
MAPT P10636 1/20 0.53
LCK P06239 1/20 0.53
PPARD Q03181 1/20 0.53
ZDHHC20 Q5W0Z9 1/20 0.53
ZDHHC2 Q9UIJ5 1/20 0.53
SLC1A3 P43003 1/20 0.53
CPB2 Q96IY4 3/20 0.50
ACE2 Q9BYF1 1/20 0.50
CHRM1 P11229 1/20 0.48
AKR1A1 P14550 1/20 0.48
CHRM3 P20309 1/20 0.48
HTR2A P28223 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
SCHEMBL21122315 1.00 GRIK1 (0.65) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL10804881 1.00 GRIK1 (0.65) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL400264 1.00 GRIK1 (0.65) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL28600794 0.98 GRIK1 (0.62) GRIK1GRIK2SLC1A2SLC1A1CA2
Hydrochloric Acid SCHEMBL3633016 0.98 GRIK1 (0.62) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL626958 0.98 GRIK1 (0.63) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL14397105 0.91 CA2 (0.68) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL977390 0.91 CA2 (0.68) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL4738680 0.91 CA2 (0.68) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL21245488 0.87 ACE2 (0.66) GRIK1GRIK2SLC1A2SLC1A1CA2

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
US-6379681-B1 CONTAINING NONIONIC SURFACTANT AND LECITHIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-04-30 US disclosed