SCHEMBL993331

SCHEMBL993331

CCCCCCCCCCCCCCC(O)C(=O)[O-].CCCCCCCCCCCCCCC(O)C(=O)[O-].[Mg+2]

nearest known ligand 0.63

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 7)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.63
FFAR1 O14842 2/20 0.63
CA2 P00918 1/20 0.59
CA1 P00915 2/20 0.57
NFKB1 P19838 1/20 0.50
FFAR4 Q5NUL3 1/20 0.47
MAPT P10636 1/20 0.45

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
SCHEMBL29800307 1.00 GPR84 (0.63) GPR84FFAR1CA2CA1NFKB1
SCHEMBL992521 1.00 GPR84 (0.63) GPR84FFAR1CA2CA1NFKB1
SCHEMBL994535 1.00 GPR84 (0.63) GPR84FFAR1CA2CA1NFKB1
SCHEMBL993513 1.00 GPR84 (0.63) GPR84FFAR1CA2CA1NFKB1
SCHEMBL993154 1.00 GPR84 (0.63) GPR84FFAR1CA2CA1NFKB1
SCHEMBL6602900 0.98 GPR84 (0.61) GPR84FFAR1CA2CA1NFKB1
SCHEMBL23391732 0.96 GPR84 (0.63) GPR84FFAR1CA2CA1NFKB1
SCHEMBL9355567 0.96 CA2 (0.64) GPR84FFAR1CA2CA1NFKB1
SCHEMBL11812812 0.96 GPR84 (0.63) GPR84FFAR1CA2CA1NFKB1
Zinc Ion SCHEMBL8745873 0.96 GPR84 (0.63) GPR84FFAR1CA2CA1NFKB1

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
US-20110015324-A1 POLYAMIDE RESIN COMPOSITION FOR A FILM UBE INDUSTRIES, LTD. (JP) 2011-01-20 US disclosed
EP-2270098-A1 POLYAMIDE RESIN COMPOSITION FOR FILM Ube Industries, Ltd. (JP) 2011-01-05 EP disclosed