SCHEMBL7076885

SCHEMBL7076885

CC(C)=CCc1cc(CCC(=O)O)cc(CC=C(C)C)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.55
AKR1B10 O60218 2/20 0.55
AKR1B1 P15121 2/20 0.55
MMP2 P08253 1/20 0.55
PAK1 Q13153 1/20 0.55
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 3/20 0.46
NPSR1 Q6W5P4 2/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTPN1 P18031 1/20 0.42
ALOX5 P09917 2/20 0.42
PTGES O14684 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL7937253 0.80 KEAP1 (0.41) AKR1C3NPSR1AKR1C2
SCHEMBL7187290 0.80 SLC5A1 (0.52) AKR1C3AKR1B10AKR1B1MMP2PAK1
SCHEMBL18554686 0.79 NPSR1 (0.48) NPSR1ALDH1A1
SCHEMBL5165720 0.78 AKR1B10 (0.54) AKR1C3AKR1B10AKR1B1MMP2PAK1
SCHEMBL4117028 0.78 HTT (0.67) AKR1C3AKR1B10AKR1B1MMP2PAK1
SCHEMBL28523089 0.75 NPSR1 (0.46) NPSR1ALOX5NFKB1NFKB2RELA
SCHEMBL7128585 0.75 AKR1B10 (0.52) AKR1C3AKR1B10AKR1B1MMP2PAK1
SCHEMBL5166422 0.75 AKR1B10 (0.51) AKR1C3AKR1B10AKR1B1MMP2PAK1
SCHEMBL10605759 0.74 KEAP1 (0.36) AKR1C3KMT2ANPSR1HPGDAKR1C2
SCHEMBL4854721 0.73 THRA (0.49) AKR1B1HTTNPSR1HPGDALDH1A1

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
EP-0867187-B1 Propolis extract with improved water-solubility HAYASHIBARA BIOCHEM LAB (JP) 2003-07-09 EP claimed
EP-0867187-B1 Propolis extract with improved water-solubility HAYASHIBARA BIOCHEM LAB (JP) 2003-07-09 EP disclosed