SCHEMBL7904569

SCHEMBL7904569

COc1cccc(OCCO)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
HSD17B10 Q99714 2/20 0.55
LMNA P02545 2/20 0.55
TP53 P04637 2/20 0.55
KDM4E B2RXH2 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
ALOX12 P18054 1/20 0.55
MAPK1 P28482 1/20 0.55
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
IDO1 P14902 2/20 0.46
TLR2 O60603 1/20 0.46
ERN1 O75460 1/20 0.46
TLR1 Q15399 1/20 0.46
TLR6 Q9Y2C9 1/20 0.46
CA12 O43570 1/20 0.45

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
Syringol SCHEMBL20564590 0.83 KDM4E (0.70) ALDH1A1HSD17B10LMNATP53KDM4E
SCHEMBL4887288 0.83 LMNA (0.53) ALDH1A1HSD17B10LMNATP53KDM4E
SCHEMBL3500769 0.82 LMNA (0.54) ALDH1A1HSD17B10LMNATP53KDM4E
SCHEMBL30960126 0.82 ALDH1A1 (0.62) ALDH1A1HSD17B10LMNAMAPTL3MBTL1
Syringol SCHEMBL29016818 0.82 TP53 (0.61) ALDH1A1HSD17B10LMNATP53KDM4E
SCHEMBL516162 0.82 ALDH1A1 (0.62) ALDH1A1HSD17B10LMNAMAPTL3MBTL1
Hydrochloric Acid SCHEMBL25376164 0.81 KDM4E (0.57) ALDH1A1HSD17B10LMNATP53KDM4E
SCHEMBL11504236 0.81 ALOX5 (0.63) ALDH1A1HSD17B10LMNATP53KDM4E
Syringol SCHEMBL156388 0.81 KDM4E (0.80) ALDH1A1HSD17B10LMNATP53KDM4E
SCHEMBL10631959 0.81 TSHR (0.47) ALDH1A1HSD17B10LMNATSHRL3MBTL1

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
US-6194217-B1 CREATING DATABASE OF ELECTRICAL SIGNAL PATTERNS REPRESENTATIVE OF FREQUENCY DISTRIBUTION OF ELECTRICALLY ACTIVE CONSTITUENTS OF BIOLOGICAL SAMPLES FROM DIAGNOSED AND HEALTHY INDIVIDUALS, THEN COMPARING TEST SAMPLES TO DATABASE ESA, INC. 2001-02-27 US disclosed
WO-1992013273-A1 METHOD OF DIAGNOSING OR CATEGORIZING DISORDERS FROM BIOCHEMICAL PROFILES ESA, INC. (US) 1992-08-06 WO disclosed