SCHEMBL6271732

SCHEMBL6271732

C=C(C(=O)O)c1ccc2c(c1)C=CC(C)(C)O2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COXFA4 O00483 1/20 0.49
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
CYP3A4 P08684 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTPN1 P18031 2/20 0.43
BACE1 P56817 1/20 0.42
XDH P47989 2/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CA7 P43166 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL30874660 0.85 COXFA4 (0.53) COXFA4ALDH1A1HPGDCYP3A4TDP1
SCHEMBL8066269 0.85 COXFA4 (0.53) COXFA4ALDH1A1HPGDCYP3A4TDP1
SCHEMBL13689961 0.82 COXFA4 (0.47) COXFA4ALDH1A1HPGDCYP3A4TDP1
SCHEMBL6648245 0.82 ALDH1A1 (0.57) COXFA4ALDH1A1HPGDCYP3A4TDP1
SCHEMBL482234 0.80 COXFA4 (0.49) COXFA4ALDH1A1HPGDCYP3A4TDP1
SCHEMBL11398330 0.78 COXFA4 (0.62) COXFA4ALDH1A1HPGDCYP3A4TDP1
SCHEMBL14541271 0.77 COXFA4 (0.52) COXFA4ALDH1A1HPGDCYP3A4TDP1
SCHEMBL7766618 0.77 COXFA4 (0.49) COXFA4ALDH1A1HPGDCYP3A4TDP1
SCHEMBL16865499 0.76 COXFA4 (0.48) COXFA4ALDH1A1HPGDCYP3A4TDP1
SCHEMBL27681852 0.76 ALDH1A1 (0.70) ALDH1A1HPGDCYP3A4TDP1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114377006-B Absorption promoter for cinnamic acid derivative 株式会社山田养蜂场本社 2024-02-09 CN claimed
CN-114377006-A Absorption enhancer for cinnamic acid derivatives 株式会社山田养蜂场本社 2022-04-22 CN claimed
CN-114377006-B Absorption promoter for cinnamic acid derivative 株式会社山田养蜂场本社 2024-02-09 CN disclosed
CN-114377006-A Absorption enhancer for cinnamic acid derivatives 株式会社山田养蜂场本社 2022-04-22 CN disclosed
EP-1575689-A2 TYPING NATURAL PRODUCTS Marcucci Ribeiro, Maria Cristina (BR) 2005-09-21 EP disclosed
WO-2002051516-A2 TYPING NATURAL PRODUCTS MARCUCCI RIBEIRO MARIA CRISTIN (BR) 2002-07-04 WO disclosed