SCHEMBL8376754

SCHEMBL8376754

C=Cc1ccccc1CCOC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.41
ALDH1A1 P00352 2/20 0.40
THRB P10828 2/20 0.37
TYR P14679 1/20 0.37
PTGS2 P35354 1/20 0.37
AKR1B10 O60218 1/20 0.36
AKR1B1 P15121 1/20 0.36
ALOX5 P09917 2/20 0.36
TSHR P16473 3/20 0.35
SLC18A3 Q16572 2/20 0.35
THRA P10827 1/20 0.35
CYP3A4 P08684 1/20 0.34
HCAR2 Q8TDS4 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
SCHEMBL29112285 0.84 LMNA (0.46) ALDH1A1THRBTYRAKR1B10AKR1B1
SCHEMBL61037 0.83 ALDH1A1 (0.50) ALDH1A1CYP3A4
SCHEMBL28040122 0.82 AKR1B10 (0.44) ALDH1A1THRBAKR1B10AKR1B1ALOX5
SCHEMBL27981237 0.81 TDP1 (0.53) ALDH1A1TYRTSHR
Trimethylammonium SCHEMBL23711255 0.79 ALDH1A1 (0.46) RAD52ALDH1A1CYP3A4
Alcohol SCHEMBL11693989 0.79 ALDH1A1 (0.46) ALDH1A1THRBPTGS2THRACYP3A4
SCHEMBL4602387 0.78 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL2404989 0.77 ALDH1A1 (0.40) ALDH1A1THRBTSHR
SCHEMBL8655277 0.76 ALOX5 (0.49) RAD52ALDH1A1TYRALOX5
SCHEMBL29122249 0.76 TYR (0.59) RAD52ALDH1A1TYRAKR1B10AKR1B1

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
US-5932392-A LIGHT SENSITIVE LAYER CONTAINING A COMPOUND CAPABLE OF GENERATING AN ACID ON EXPOSURE OF INFRARED RAYS, A RESOL RESIN, AN UNSATURATED RESIN CONTAINING A MONOMER UNIT WITH A PHENOLIC HYDROXY GROUP, AND AN INFRARED ABSORBER KONICA CORPORATION (JP) 1999-08-03 US claimed