SCHEMBL9618004

SCHEMBL9618004

CCOC(=O)C[C@H]1C(C)=CCCC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSD17B1 P14061 1/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 1/20 0.34
UGT2B7 P16662 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CYP1A2 P05177 1/20 0.33
MIF P14174 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL1229826 0.81 ALOX15 (0.51) ALOX15ALDH1A1CYP3A4TDP1GAA
SCHEMBL8656171 0.81 ALOX15 (0.47) ALOX15ALDH1A1CYP3A4TDP1GAA
SCHEMBL4593867 0.79 ALOX15 (0.46) ALOX15ALDH1A1CYP3A4TDP1GAA
SCHEMBL10648071 0.78 ALDH1A1 (0.48) ALOX15ALDH1A1CYP3A4TDP1TSHR
SCHEMBL6830360 0.77 ALOX15 (0.43) ALOX15ALDH1A1CYP3A4TDP1GAA
SCHEMBL30384431 0.77 ALOX15 (0.43) ALOX15ALDH1A1CYP3A4TDP1TSHR
SCHEMBL8516333 0.76 ALOX15 (0.49) ALOX15ALDH1A1CYP3A4TDP1GAA
SCHEMBL9465427 0.74 ALOX15 (0.41) ALOX15ALDH1A1CYP3A4TDP1L3MBTL1
SCHEMBL9464735 0.74 ALOX15 (0.41) ALOX15ALDH1A1CYP3A4TDP1
SCHEMBL9410639 0.73 ALOX15 (0.44) ALOX15ALDH1A1CYP3A4TDP1GAA

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
JP-4279535-A None JP disclosed
JP-H04279535-A PRODUCTION OF (R)-(+)-DIHYDRO-ALPHA-IONONE AND ITS NEW INTERMEDIATE T HASEGAWA CO LTD 1992-10-05 JP disclosed