SCHEMBL8200730

SCHEMBL8200730

CC(C)=CCCC(C)(O)C=CC(C)(C)O

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 7/20 0.67
KMT2A Q03164 4/20 0.38
CYP3A4 P08684 4/20 0.38
MEN1 O00255 3/20 0.38
MAPK1 P28482 1/20 0.38
CHRNA7 P36544 1/20 0.38
STAT3 P40763 1/20 0.38
HIF1A Q16665 4/20 0.36
EPAS1 Q99814 4/20 0.36
TSHR P16473 1/20 0.34
PTPN1 P18031 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 2/20 0.30
ALDH1A1 P00352 1/20 0.30
UGT1A1 P22309 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
SCHEMBL8212959 0.93 ALOX15 (0.75) ALOX15KMT2ACYP3A4MEN1MAPK1
SCHEMBL15822302 0.83 ALOX15 (0.67) ALOX15KMT2ACYP3A4MEN1MAPK1
SCHEMBL15822299 0.83 ALOX15 (0.67) ALOX15KMT2ACYP3A4MEN1MAPK1
SCHEMBL13096525 0.83 ALOX15 (0.67) ALOX15KMT2ACYP3A4MEN1MAPK1
SCHEMBL8519987 0.83 ALOX15 (0.67) ALOX15KMT2ACYP3A4MEN1MAPK1
SCHEMBL29487266 0.83 ALOX15 (0.67) ALOX15KMT2ACYP3A4MEN1MAPK1
SCHEMBL28774593 0.83 ALOX15 (0.67) ALOX15KMT2ACYP3A4MEN1MAPK1
SCHEMBL30472790 0.81 ALOX15 (0.64) ALOX15KMT2ACYP3A4MEN1MAPK1
SCHEMBL29118395 0.80 ALOX15 (0.69) ALOX15KMT2ACYP3A4MEN1MAPK1
Linalool SCHEMBL254425 0.80 ALOX15 (1.00) ALOX15KMT2ACYP3A4MEN1MAPK1

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
EP-1050577-A1 Low voc cleanroom cleaning wipe AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-11-08 EP claimed
EP-1050577-A1 Low voc cleanroom cleaning wipe AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-11-08 EP disclosed