SCHEMBL5281939

SCHEMBL5281939

C=C(C)C(=O)OCC1CCCOC1COC(=O)C(=C)C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 4/20 0.35
THRB P10828 1/20 0.33
CYP3A4 P08684 2/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL6848037 0.82 ALDH1A1 (0.50) ALDH1A1LMNAPOLBTSHRTHRB
SCHEMBL18869522 0.82 ALDH1A1 (0.50) ALDH1A1LMNAPOLBTSHRTHRB
SCHEMBL11481185 0.80 ALDH1A1 (0.56) ALDH1A1LMNAPOLBTSHRTHRB
SCHEMBL27848264 0.80 ALDH1A1 (0.67) ALDH1A1LMNAPOLBCYP3A4TP53
SCHEMBL36133 0.80 ALDH1A1 (0.67) ALDH1A1LMNAPOLBCYP3A4TP53
SCHEMBL6843991 0.79 ALDH1A1 (0.50) ALDH1A1LMNAPOLBTSHRCYP3A4
SCHEMBL28309955 0.78 ALDH1A1 (0.65) ALDH1A1LMNAPOLBCYP3A4TP53
SCHEMBL6848901 0.78 ALDH1A1 (0.46) ALDH1A1LMNAPOLBTSHRCYP3A4
SCHEMBL10064060 0.77 ALDH1A1 (0.62) ALDH1A1LMNAPOLBTSHRTHRB
Alcohol SCHEMBL9065899 0.76 ALDH1A1 (0.61) ALDH1A1LMNAPOLBGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1640976-B1 Magnetic recording medium FUJIFILM CORP (JP) 2007-12-05 EP disclosed
EP-1463036-B1 Magnetic recording medium FUJI PHOTO FILM CO LTD (JP) 2006-05-17 EP disclosed
US-7041395-B2 Magnetic recording medium FUJI PHOTO FILM CO., LTD. (JP) 2006-05-09 US disclosed
US-20060068233-A1 Magnetic recording medium FUJI PHOTO FILM CO., LTD. 2006-03-30 US disclosed
EP-1640976-A1 Magnetic recording medium FUJI PHOTO FILM CO., LTD. (JP) 2006-03-29 EP disclosed
US-20040191465-A1 Magnetic recording medium FUJI PHOTO FILM CO., LTD. 2004-09-30 US disclosed
EP-1463036-A1 Magnetic recording medium FUJI PHOTO FILM CO., LTD. (JP) 2004-09-29 EP disclosed