SCHEMBL27729329

SCHEMBL27729329

CCCCCc1ccoc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.47
CYP3A4 P08684 3/20 0.47
TP53 P04637 2/20 0.47
ALOX5 P09917 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LIPG Q9Y5X9 1/20 0.44
PTGS2 P35354 3/20 0.44
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44

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
SCHEMBL28288308 0.85
SCHEMBL2962602 0.82 LIPG (0.43) TYRCYP3A4TP53ALOX5MEN1
SCHEMBL2973794 0.80 LIPG (0.46) TYRCYP3A4TP53ALOX5MEN1
SCHEMBL2974041 0.80 LIPG (0.46) TYRCYP3A4TP53ALOX5MEN1
SCHEMBL2964367 0.80 LIPG (0.46) TYRCYP3A4TP53ALOX5MEN1
SCHEMBL2966281 0.80 LIPG (0.46) TYRCYP3A4TP53ALOX5MEN1
SCHEMBL2969606 0.80 LIPG (0.46) TYRCYP3A4TP53ALOX5MEN1
SCHEMBL2964497 0.80 LIPG (0.46) TYRCYP3A4TP53ALOX5MEN1
SCHEMBL2972750 0.80 LIPG (0.46) TYRCYP3A4TP53ALOX5MEN1
SCHEMBL1936139 0.79 ALDH1A1 (0.42) TYRCYP3A4TP53ALOX5MEN1

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
CN-101208288-B Process for producing substituted cyclopentanone ASAHI KASEI E MATERIALS CORP 2011-07-27 CN disclosed
CN-101208288-A Process for producing substituted cyclopentanone ASAHI CHEMICAL CORP (JP) 2008-06-25 CN disclosed