SCHEMBL8815418

SCHEMBL8815418

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.45
▸ TSHR P16473 3/20 0.39
▸ GABRR1 P24046 2/20 0.39
▸ GABRR2 P28476 2/20 0.39
▸ BLM P54132 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ GABRR3 A8MPY1 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CPA1 P15085 2/20 0.38
▸ CPB1 P15086 1/20 0.38
▸ CPA3 P15088 1/20 0.38
▸ CPB2 Q96IY4 1/20 0.38
▸ GRIK1 P39086 5/20 0.36
▸ GRIK2 Q13002 5/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SLC22A6 Q4U2R8 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL4456529 0.83 TSHR (0.37) FOLH1TSHRGABRR1GABRR2BLM
SCHEMBL1502606 0.79 FOLH1 (0.52) FOLH1TSHRGABRR1GABRR2BLM
SCHEMBL12501647 0.78 GRIK1 (0.58) FOLH1TDP1CPA1CPB1CPA3
SCHEMBL27778665 0.78 ALDH1A1 (0.52) FOLH1TDP1CPA1CPB1CPA3
SCHEMBL13351667 0.78 GRIK1 (0.58) FOLH1TDP1CPA1CPB1CPA3
SCHEMBL516283 0.78 CA2 (0.43) TSHRGABRR1GABRR2BLMTDP1
SCHEMBL9273697 0.78 TSHR (0.39) TSHRGABRR1GABRR2BLMTDP1
SCHEMBL40728 0.78 GRIK1 (0.58) FOLH1TDP1CPA1CPB1CPA3
SCHEMBL12231028 0.78 GRIK1 (0.43) FOLH1BLMTDP1LMNAAPEX1
SCHEMBL801200 0.77 GRIK1 (0.59) FOLH1BLMTDP1LMNACPA1

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-9279478-A — — None — — JP disclosed
JP-H09279478-A TREATING AGENT FOR FIBER NOF CORP 1997-10-28 — — JP disclosed
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