SCHEMBL30825091

SCHEMBL30825091

O=C(O)CCc1cc(O)cc(CCc2cccc(O)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 4/20 0.56
▸ KEAP1 Q14145 1/20 0.55
▸ GABRA1 P14867 1/20 0.53
▸ GABRG2 P18507 1/20 0.53
▸ GABRB3 P28472 1/20 0.53
▸ GABRA3 P34903 1/20 0.53
▸ GABRA2 P47869 1/20 0.53
▸ GABRB2 P47870 1/20 0.53
▸ PTPRB P23467 1/20 0.53
▸ CDC25A P30304 1/20 0.53
▸ CDC25B P30305 1/20 0.53
▸ PTEN P60484 1/20 0.53
▸ PTPMT1 Q8WUK0 1/20 0.53
▸ PLA2G4A P47712 1/20 0.50
▸ DRD2 P14416 1/20 0.50
▸ DRD1 P21728 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ IDO1 P14902 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ OPRK1 P41145 1/20 0.49

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
SCHEMBL29185406 1.00 FFAR1 (0.56) FFAR1KEAP1GABRA1GABRG2GABRB3
SCHEMBL31336237 0.93 KEAP1 (0.63) FFAR1KEAP1PTPRBCDC25ACDC25B
SCHEMBL65250 0.93 KEAP1 (0.63) FFAR1KEAP1PTPRBCDC25ACDC25B
SCHEMBL29563859 0.93 KEAP1 (0.63) FFAR1KEAP1PTPRBCDC25ACDC25B
Phenyl Propionic Acid SCHEMBL29282176 0.89 KEAP1 (0.70) FFAR1KEAP1PTPRBCDC25ACDC25B
Sulfuric Acid SCHEMBL18729778 0.86 FFAR1 (0.55) FFAR1KEAP1PTPRBCDC25ACDC25B
SCHEMBL70271 0.85 KEAP1 (0.74) FFAR1KEAP1PTPRBCDC25ACDC25B
SCHEMBL8435278 0.83 FFAR1 (0.80) FFAR1KEAP1PTPRBCDC25ACDC25B
Hydrochloric Acid SCHEMBL10982620 0.83 KEAP1 (0.71) FFAR1KEAP1PTPRBCDC25ACDC25B
SCHEMBL3717612 0.82 HDAC6 (0.66) FFAR1KEAP1DRD2DRD1TAAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117683004-A Eucommia ulmoides in-vivo metabolite and preparation method and application thereof 天津中医药大学 2024-03-12 — — CN claimed
CN-117683004-B Eucommia ulmoides in-vivo metabolite and preparation method and application thereof 天津中医药大学 2025-11-11 — — CN disclosed
CN-117683004-A Eucommia ulmoides in-vivo metabolite and preparation method and application thereof 天津中医药大学 2024-03-12 — — CN disclosed
CN-117683004-A Eucommia ulmoides in-vivo metabolite and preparation method and application thereof 天津中医药大学 2024-03-12 — — CN disclosed
Send feedback