SCHEMBL5665294

SCHEMBL5665294

CC=CC(=O)OCC(O)Cc1ccc(CC(C)(C)c2ccc(CC(O)COC(=O)C=CC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
GSTP1 P09211 1/20 0.33
POLB P06746 1/20 0.33
ADRB2 P07550 5/20 0.32
ADRB1 P08588 5/20 0.32
ADRB3 P13945 5/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
MMP1 P03956 1/20 0.31
EGFR P00533 1/20 0.31
BTK Q06187 1/20 0.31
CYP3A4 P08684 2/20 0.30

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
SCHEMBL95440 0.88 MEN1 (0.35) TP53TSHRGSTP1POLBADRB2
SCHEMBL1724938 0.87 LMNA (0.41) ESR1ESR2POLBADRB2ADRB1
SCHEMBL5164334 0.79 ESR1 (0.42) ESR1ESR2TP53TSHRPOLB
SCHEMBL11142177 0.77 ABCB1 (0.38) ADRB2ADRB1ADRB3
SCHEMBL630578 0.74 TSHR (0.42) TP53TSHRPOLBADRB2ADRB1
SCHEMBL7999286 0.72 MMP1 (0.39) GSTP1POLBMMP1CYP3A4CYP1A2
SCHEMBL5276524 0.72 CA12 (0.44) ADRB2ADRB1ADRB3
SCHEMBL59992 0.72 HTT (0.52) POLBCYP1A2
SCHEMBL20335453 0.71 TSHR (0.39) TSHRGSTP1CYP3A4CYP1A2
SCHEMBL11516982 0.70 AR (0.47) TP53TSHRPOLBADRB2ADRB1

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-7081329-B2 Planographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2006-07-25 US disclosed