SCHEMBL9209366

SCHEMBL9209366

CC(=O)OC/C=C(C)/C=C/C(O)/C(C)=C/CC1=C(C)CCCC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
MAPT P10636 5/20 0.53
CYP3A4 P08684 3/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SLCO1B3 Q9NPD5 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SLCO1B1 Q9Y6L6 1/20 0.53
ADORA3 P0DMS8 2/20 0.40
TRPA1 O75762 5/20 0.35
RBP4 P02753 2/20 0.34
MEN1 O00255 2/20 0.34
APP P05067 2/20 0.34
MAPK1 P28482 2/20 0.34
SNCA P37840 2/20 0.34
KMT2A Q03164 2/20 0.34
NR1I2 O75469 1/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL7022355 1.00 ALDH1A1 (0.53) ALDH1A1MAPTCYP3A4HPGDHSD17B10
SCHEMBL9209368 1.00 ALDH1A1 (0.53) ALDH1A1MAPTCYP3A4HPGDHSD17B10
SCHEMBL9749046 1.00 ALDH1A1 (0.53) ALDH1A1MAPTCYP3A4HPGDHSD17B10
SCHEMBL9219326 1.00 ALDH1A1 (0.53) ALDH1A1MAPTCYP3A4HPGDHSD17B10
SCHEMBL23888737 0.96 ALDH1A1 (0.51) ALDH1A1MAPTCYP3A4HPGDHSD17B10
SCHEMBL23888738 0.96 ALDH1A1 (0.51) ALDH1A1MAPTCYP3A4HPGDHSD17B10
SCHEMBL9217106 0.89 ALDH1A1 (0.51) ALDH1A1MAPTCYP3A4HPGDHSD17B10
SCHEMBL9208605 0.89 ALDH1A1 (0.51) ALDH1A1MAPTCYP3A4HPGDHSD17B10
SCHEMBL9217111 0.89 ALDH1A1 (0.51) ALDH1A1MAPTCYP3A4HPGDHSD17B10
SCHEMBL8388735 0.87 ALDH1A1 (0.39) ALDH1A1MAPTCYP3A4HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0454002-B1 Dehydration process HOFFMANN LA ROCHE (CH) 1995-06-28 EP claimed
US-5155255-A PROCESS FOR PRODUCING CYCLOALKENYLALKENES HOFFMANN-LA ROCHE INC. (US) 1992-10-13 US claimed
EP-0454002-A2 Dehydration process F. HOFFMANN-LA ROCHE AG (CH) 1991-10-30 EP claimed
JP-4225952-A None JP disclosed
EP-0454002-B1 Dehydration process HOFFMANN LA ROCHE (CH) 1995-06-28 EP disclosed
US-5155255-A PROCESS FOR PRODUCING CYCLOALKENYLALKENES HOFFMANN-LA ROCHE INC. (US) 1992-10-13 US disclosed
US-5155255-A PROCESS FOR PRODUCING CYCLOALKENYLALKENES HOFFMANN-LA ROCHE INC. (US) 1992-10-13 US disclosed
JP-H04225952-A PREPARATION OF CYCLOALKENYLALKENE F HOFFMANN LA ROCHE AG 1992-08-14 JP disclosed
EP-0454002-A2 Dehydration process F. HOFFMANN-LA ROCHE AG (CH) 1991-10-30 EP disclosed
EP-0454002-A2 Dehydration process F. HOFFMANN-LA ROCHE AG (CH) 1991-10-30 EP disclosed