SCHEMBL4731408

SCHEMBL4731408

CCC(C)OC(=O)c1ccccc1OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.56
KDM4E B2RXH2 4/20 0.56
HSD17B10 Q99714 3/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 2/20 0.54
ALDH1A1 P00352 2/20 0.54
ESR1 P03372 1/20 0.54
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
HMGB1 P09429 1/20 0.54
TSHR P16473 1/20 0.54
GGT1 P19440 1/20 0.54
PTGS1 P23219 1/20 0.54
BLM P54132 1/20 0.54
NAPRT Q6XQN6 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50

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
SCHEMBL1868204 0.84 KDM4E (0.63) PTGS2KDM4EHSD17B10LMNACYP1A2
SCHEMBL6231293 0.84 ALDH1A1 (0.58) ALDH1A1TSHRTDP1SCN1ASCN2A
Hydrochloric Acid SCHEMBL28178651 0.82 PTGS2 (0.54) PTGS2KDM4EHSD17B10LMNACYP1A2
SCHEMBL11136492 0.82 USP2 (0.60) PTGS2KDM4EHSD17B10LMNACYP1A2
SCHEMBL7894940 0.82 SLC6A3 (0.50) PTGS2KDM4EHSD17B10LMNACYP1A2
SCHEMBL2780216 0.81 HSD17B10 (0.59) PTGS2KDM4EHSD17B10LMNACYP1A2
SCHEMBL11019069 0.81 HSD17B10 (0.59) PTGS2KDM4EHSD17B10LMNACYP1A2
SCHEMBL1821600 0.81 HSD17B10 (0.59) PTGS2KDM4EHSD17B10LMNACYP1A2
SCHEMBL7606600 0.81 HSD17B10 (0.59) PTGS2KDM4EHSD17B10LMNACYP1A2
SCHEMBL4380299 0.81 HSD17B10 (0.59) PTGS2KDM4EHSD17B10LMNACYP1A2

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
WO-2008043654-A2 BLOND CLEAR TREATMENT HENKEL AG & CO. KGAA (DE) 2008-04-17 WO disclosed