SCHEMBL9112669

SCHEMBL9112669

COC(=O)C1CC(=O)CC1NC(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.65
ALDH1A1 P00352 3/20 0.52
TSHR P16473 3/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
CYP2D6 P10635 1/20 0.52
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
ACHE P22303 2/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
CTSB P07858 2/20 0.45
CTSS P25774 2/20 0.45
CTSK P43235 2/20 0.45
CTSL P07711 1/20 0.45
CASP1 P29466 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL9112667 1.00 CPB1 (0.65) CPB1ALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL9112665 1.00 CPB1 (0.65) CPB1ALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL10915489 0.89 CPB1 (0.68) CPB1ALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL10915487 0.89 CPB1 (0.68) CPB1ALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL10917960 0.89 CPB1 (0.68) CPB1ALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL31045416 0.84 CPB1 (0.75) CPB1ALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL14865140 0.84 CPB1 (0.53) CPB1ALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL9113776 0.84 CPB1 (0.53) CPB1ALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL9113760 0.84 CPB1 (0.53) CPB1ALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL9113747 0.84 CPB1 (0.53) CPB1ALDH1A1TSHRCYP2C9CYP2C19

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-1995007022-A1 FUNGICIDES ZENECA LIMITED (GB) 1995-03-16 WO disclosed