SCHEMBL8080032

SCHEMBL8080032

COC(=O)c1cc(CC(C)C)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.64
CA12 O43570 3/20 0.57
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
CA7 P43166 3/20 0.57
CA9 Q16790 3/20 0.57
CA14 Q9ULX7 3/20 0.57
GABRA1 P14867 1/20 0.53
GABRB2 P47870 1/20 0.53
PTGS2 P35354 1/20 0.48
TSHR P16473 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.47
EGFR P00533 3/20 0.47
NOX4 Q9NPH5 1/20 0.46

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
SCHEMBL7854729 0.87 KDM4E (0.50) MAPTCA12CA1CA2CA7
SCHEMBL15668326 0.83 MAPT (0.67) MAPTCA12CA1CA2CA7
SCHEMBL646876 0.83 CA12 (0.65) MAPTCA12CA1CA2CA7
SCHEMBL10628012 0.83 TSHR (0.67) MAPTCA12CA1CA2CA7
SCHEMBL14513563 0.83 HPGD (0.52) MAPTTSHRKDM4EALDH1A1GAA
SCHEMBL5123418 0.82 CA12 (0.51) MAPTCA12CA1CA2CA7
SCHEMBL14032561 0.82 CA12 (0.51) MAPTCA12CA1CA2CA7
SCHEMBL30949369 0.81 CA12 (0.62) MAPTCA12CA1CA2CA7
SCHEMBL4959120 0.81 KLKB1 (0.65) CA12CA1CA2CA7CA9
SCHEMBL8887162 0.81 CA12 (0.62) MAPTCA12CA1CA2CA7

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-6083987-A 4-AMINO DERIVATIVE SUBSTITUTED PHENYLDIALKYLAMINE, USEFUL AS LIPID PEROXIDATION INHIBITOR SHISEIDO CO., LTD. (JP) 2000-07-04 US disclosed