SCHEMBL29065702

SCHEMBL29065702

O=C(O)/C=C/c1ccc(O)c(O)c1CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
ALOX5 P09917 4/20 0.48
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
MAOB P27338 1/20 0.43
ESR1 P03372 2/20 0.41
HCAR2 Q8TDS4 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
HDAC3 O15379 1/20 0.40
TNKS O95271 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL15419981 1.00 NFKB1 (0.50) NFKB1CA1CA2CA4ALOX5
SCHEMBL5464966 0.90 MIF (0.44) NFKB1CA1CA2CA4ALOX5
SCHEMBL28276592 0.87 CA1 (0.51) NFKB1CA1CA2CA4ALOX5
SCHEMBL5470601 0.86 LCK (0.48) NFKB1CA1CA2CA4ALOX5
SCHEMBL10339405 0.86 LCK (0.48) NFKB1CA1CA2CA4ALOX5
SCHEMBL5606507 0.83 PPARG (0.48) NFKB1CA1CA2CA4ALOX5
SCHEMBL26046327 0.83 CA1 (0.49) NFKB1CA1CA2CA4ALOX5
SCHEMBL28249242 0.82 ESR1 (0.49) NFKB1CA1CA2CA4ALOX5
SCHEMBL28208040 0.81 ALOX5 (0.51) NFKB1ALOX5MAOBESR1ALDH1A1
SCHEMBL6678566 0.78 ESR1 (0.48) NFKB1CA1CA2CA4ALOX5

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
CN-113473964-B Propolis liquid extract, preparation and use thereof 阿皮奥迪科斯技术有限公司 2023-06-23 CN disclosed