SCHEMBL8134018

SCHEMBL8134018

C=C(C)C=C(OCC)OCC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 1/20 0.33
GLO1 Q04760 1/20 0.33
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
SOAT1 P35610 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL19036886 0.83 ALDH1A1 (0.30) ALDH1A1LMNAHSD17B10
SCHEMBL10455610 0.74 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL10084560 0.72 NPSR1 (0.63) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL8137656 0.69
SCHEMBL19133543 0.69
SCHEMBL26414003 0.69 NPSR1 (0.44) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL334984 0.68 NPSR1 (0.60) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL15684410 0.68
SCHEMBL11857889 0.68 HCAR2 (0.50) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL622054 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0814078-B1 Process for the preparation of polyenic esters and -acids HOFFMANN LA ROCHE (CH) 2000-04-05 EP claimed
US-5986113-A MULTISTAGE PROCESS FOR FORMING PIGMENTS ROCHE VITAMINS INC (US) 1999-11-16 US claimed
EP-0814078-A1 Process for the preparation of polyenic esters and -acids F. HOFFMANN-LA ROCHE AG (CH) 1997-12-29 EP claimed
EP-0814078-B1 Process for the preparation of polyenic esters and -acids HOFFMANN LA ROCHE (CH) 2000-04-05 EP disclosed
US-5986113-A MULTISTAGE PROCESS FOR FORMING PIGMENTS ROCHE VITAMINS INC (US) 1999-11-16 US disclosed
US-5763651-A CONDENSATION OF UNSATURATED ETHERS IN THE PRESENCE OF LEWIS ACIDS ROCHE VITAMINS INC. (US) 1998-06-09 US disclosed
EP-0814078-A1 Process for the preparation of polyenic esters and -acids F. HOFFMANN-LA ROCHE AG (CH) 1997-12-29 EP disclosed
EP-0814078-A1 Process for the preparation of polyenic esters and -acids F. HOFFMANN-LA ROCHE AG (CH) 1997-12-29 EP disclosed