Sugi Predict

Sugi Predict / Compounds / SCHEMBL11291119

SCHEMBL11291119

SCHEMBL11291119

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 2/20 0.43
▸ GRIK2 Q13002 2/20 0.43
▸ CYP2C19 P33261 1/20 0.42
▸ CPA1 P15085 1/20 0.42
▸ ABCC4 O15439 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2824755 0.83 GRIK1 (0.40) GRIK1GRIK2CYP2C19CPA1LMNA
SCHEMBL31636 0.75 GRIK1 (0.48) GRIK1GRIK2CYP2C19CPA1ABCC4
SCHEMBL1133379 0.72 GRIK1 (0.46) GRIK1GRIK2CYP2C19CPA1ABCC4
Potassium SCHEMBL31299609 0.72 GRIK1 (0.46) GRIK1GRIK2CYP2C19CPA1ABCC4
SCHEMBL891727 0.72 GRIK1 (0.64) GRIK1GRIK2CYP2C19CPA1ABCC4
Ammonia Solution, Strong SCHEMBL6396419 0.72 GRIK1 (0.46) GRIK1GRIK2CYP2C19CPA1ABCC4
SCHEMBL31299617 0.72 GRIK1 (0.46) GRIK1GRIK2CYP2C19CPA1ABCC4
Lithium SCHEMBL31299623 0.72 GRIK1 (0.46) GRIK1GRIK2CYP2C19CPA1ABCC4
SCHEMBL4079703 0.70 — —
SCHEMBL246812 0.70 — —

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-4362891-A ANTIINFLAMMATORY AGENTS, DEHYDRATION GLAXO GROUP LIMITED (GB) 1982-12-07 — — US disclosed