SCHEMBL28065858

SCHEMBL28065858

COc1c(CCCO)ccc(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSP90AA1 P07900 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
CYP4A11 Q02928 1/20 0.34
AOC3 Q16853 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TUBB1 Q9H4B7 1/20 0.31
ESR1 P03372 1/20 0.31
CYP19A1 P11511 1/20 0.31
ESR2 Q92731 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL28111049 0.81 CYP4F2 (0.36) ALOX5CYP4A11AOC3LMNAMAPT
SCHEMBL20184210 0.79 TYR (0.35) ALDH1A1KDM4ECYP4A11FFAR4CA2
SCHEMBL23964582 0.79 PTGER4 (0.43) ALOX5ALDH1A1KDM4ETNKS2CYP4A11
SCHEMBL12695601 0.78 TYR (0.53) ALOX5MAPTESR1CYP19A1ESR2
SCHEMBL25297854 0.76 TNKS2 (0.39) TNKS2CYP4A11AOC3TUBB1ESR1
SCHEMBL4774241 0.76 AOC3 (0.56) ALDH1A1KDM4ETNKS2AOC3LMNA
SCHEMBL26447803 0.76 TNKS2 (0.42) ALOX5ALDH1A1KDM4EHSP90AA1TNKS2
SCHEMBL13027423 0.75 AOC3 (0.33) ALDH1A1AOC3LMNAMAPT
SCHEMBL22026776 0.75 IMPDH2 (0.46) ALOX5TNKS2MAPTTUBB1
SCHEMBL12560287 0.75 ALDH1A1 (0.35) ALDH1A1KDM4ELMNAMAPT

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-109073557-A Photoactive fluorophores and in vivo labeling methods 霍华德休斯医学研究所 2018-12-21 CN disclosed
CN-102757520-B Be used to form random copolymer of neutral surface and production and preparation method thereof SAMSUNG DISPLAY CO., LTD. (KR) 2016-05-25 CN disclosed