SCHEMBL8640656

SCHEMBL8640656

CCCCCN[C@@H](CCC(=O)[O-])C(=O)[O-].[Mg+2]

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.47
CA2 P00918 3/20 0.46
NFKB1 P19838 1/20 0.45
FOLH1 Q04609 2/20 0.44
NOD1 Q9Y239 1/20 0.43
CA1 P00915 4/20 0.42
EPHX2 P34913 1/20 0.40
FABP3 P05413 3/20 0.39
FFAR3 O14843 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
Potassium Ion SCHEMBL9940084 0.97 GPR84 (0.47) GPR84CA2NFKB1FOLH1NOD1
Potassium Ion SCHEMBL9940087 0.97 GPR84 (0.47) GPR84CA2NFKB1FOLH1NOD1
SCHEMBL438053 0.97 GPR84 (0.51) GPR84CA2NFKB1FOLH1NOD1
SCHEMBL438050 0.97 GPR84 (0.51) GPR84CA2NFKB1FOLH1NOD1
SCHEMBL8652556 0.97 GPR84 (0.47) GPR84CA2NFKB1FOLH1NOD1
SCHEMBL8652553 0.97 GPR84 (0.47) GPR84CA2NFKB1FOLH1NOD1
SCHEMBL1239361 0.95 GPR84 (0.54) GPR84CA2NFKB1FOLH1NOD1
SCHEMBL1239366 0.95 GPR84 (0.54) GPR84CA2NFKB1FOLH1NOD1
SCHEMBL3114529 0.95 GPR84 (0.54) GPR84CA2NFKB1FOLH1NOD1
Potassium Ion SCHEMBL30514358 0.95 GPR84 (0.50) GPR84CA2NFKB1FOLH1NOD1

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
JP-10036220-A None JP disclosed
JP-H1036220-A COSMETIC FOR WASHING SKIN ASAHI CHEM IND CO LTD 1998-02-10 JP disclosed