SCHEMBL4871297

SCHEMBL4871297

C=C(C=C(C)C(=O)O)C(=O)OC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.33
CYP19A1 P11511 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GLA P06280 1/20 0.31
THRB P10828 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP17A1 P05093 2/20 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
SCHEMBL8536939 0.82 NAAA (0.33) NAAACYP19A1NPSR1GLATHRB
SCHEMBL22615686 0.81 NAAA (0.39) NAAACYP19A1NPSR1GLATHRB
SCHEMBL22615685 0.81 NAAA (0.39) NAAACYP19A1NPSR1GLATHRB
SCHEMBL4857167 0.79 CYP17A1 (0.34) CYP19A1CYP17A1
Methacrylic Acid SCHEMBL13504160 0.79 NAAA (0.37) NAAACYP19A1NPSR1GLATHRB
Methacrylic Acid SCHEMBL5355472 0.79 NAAA (0.33) NAAACYP19A1NPSR1GLATHRB
SCHEMBL30385819 0.78 NAAA (0.32) NAAACYP19A1
SCHEMBL8533098 0.77 CYP19A1 (0.32) NAAACYP19A1NPSR1
SCHEMBL8885416 0.77 CYP17A1 (0.33) NAAACYP19A1CYP17A1
SCHEMBL7036973 0.77 CYP19A1 (0.36) NAAACYP19A1NPSR1THRBCYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332444-B2 Method for smoothing areas in structures by utilizing the surface tension INFINEON TECHNOLOGIES AG (DE) 2008-02-19 US claimed
US-20050214467-A1 Method for smoothing areas in structures by utilizing the surface tension INFINEON TECHNOLOGIES AG (DE) 2005-09-29 US claimed
US-7332444-B2 Method for smoothing areas in structures by utilizing the surface tension INFINEON TECHNOLOGIES AG (DE) 2008-02-19 US disclosed
US-20050214467-A1 Method for smoothing areas in structures by utilizing the surface tension INFINEON TECHNOLOGIES AG (DE) 2005-09-29 US disclosed