SCHEMBL6721117

SCHEMBL6721117

CC(C)(C)ON(C(c1ccc(-c2ccccc2)cc1)C(C)(C)C)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.36
PTGS2 P35354 1/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KIF11 P52732 1/20 0.32
ACP3 P15309 2/20 0.32
PRCP P42785 1/20 0.32
ALDH1A1 P00352 1/20 0.31
AKT1 P31749 1/20 0.31
AKT2 P31751 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
SCHEMBL16300521 0.85 CYP17A1 (0.37) CYP17A1PTGS2CHRNB2CHRNA4CYP3A4
SCHEMBL6721043 0.76 PTGS2 (0.43) CYP17A1PTGS2CHRNB2CHRNA4
SCHEMBL16300533 0.75 CYP17A1 (0.42) CYP17A1PTGS2CHRNB2CHRNA4CYP3A4
SCHEMBL15854885 0.71 SLC6A4 (0.36) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL6721069 0.68 KIF11 (0.39) KIF11ALDH1A1AKT1AKT2
SCHEMBL15478215 0.67 ACP3 (0.40) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL19638102 0.66 PTGS2 (0.42) CYP17A1PTGS2CHRNB2CHRNA4CYP3A4
SCHEMBL28943433 0.65 AOC3 (0.38) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL26826452 0.65 PTGS2 (0.50) CYP17A1PTGS2CHRNB2CHRNA4CYP3A4
SCHEMBL2048445 0.64 PTGS2 (0.44) CYP17A1PTGS2CHRNB2CHRNA4CYP3A4

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
US-8182975-B2 Positive resist composition and pattern forming method using the same FUJIFILM CORPORATION (JP) 2012-05-22 US disclosed
US-20080248419-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-10-09 US disclosed