SCHEMBL7082300

SCHEMBL7082300

CC(C=CC=C(C)CO)=CC=CC=C(C)C1OCC(C)(C)CO1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
NR1I2 O75469 1/20 0.36
PGR P06401 1/20 0.36
PTGS1 P23219 2/20 0.33
MAPT P10636 2/20 0.30
TSHR P16473 2/20 0.30
HIF1A Q16665 1/20 0.30
GMNN O75496 1/20 0.30
APEX1 P27695 1/20 0.30
PMP22 Q01453 1/20 0.30
ALDH1A1 P00352 2/20 0.30
ALOX15 P16050 1/20 0.30
RECQL P46063 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
DRD3 P35462 1/20 0.30
SLCO1B3 Q9NPD5 1/20 0.30
SLCO1B1 Q9Y6L6 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
SCHEMBL7082297 1.00 LMNA (0.36) LMNANR1I2PGRPTGS1MAPT
SCHEMBL5873554 0.83 ALDH1A1 (0.35) LMNAPTGS1MAPTTSHRHIF1A
SCHEMBL7083322 0.83 ALDH1A1 (0.35) LMNAPTGS1MAPTTSHRHIF1A
SCHEMBL5873557 0.83 ALDH1A1 (0.35) LMNAPTGS1MAPTTSHRHIF1A
SCHEMBL7083319 0.83 ALDH1A1 (0.35) LMNAPTGS1MAPTTSHRHIF1A
SCHEMBL9688380 0.81 ALDH1A1 (0.39) NR1I2MAPTTSHRALDH1A1ALOX15
SCHEMBL9689386 0.81 ALDH1A1 (0.39) NR1I2MAPTTSHRALDH1A1ALOX15
SCHEMBL9688375 0.81 ALDH1A1 (0.39) NR1I2MAPTTSHRALDH1A1ALOX15
SCHEMBL8162940 0.80
SCHEMBL8162935 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325919-A1 Process for the preparation of polyendialdehydemonoacetals BASF AKTIENGESELLSCHAFT (DE) 2003-07-09 EP disclosed