SCHEMBL9880984

SCHEMBL9880984

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
EPHX1 P07099 1/20 0.38
NPC1 O15118 1/20 0.38
CYP17A1 P05093 3/20 0.34
CYP19A1 P11511 3/20 0.34
NPSR1 Q6W5P4 1/20 0.33
SLC22A2 O15244 1/20 0.32
SLC47A1 Q96FL8 1/20 0.32
NAAA Q02083 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
EPHX2 P34913 1/20 0.31
ALOX15 P16050 1/20 0.30
DPP4 P27487 1/20 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
SCHEMBL2740746 0.87 CYP17A1 (0.35) ALDH1A1EPHX1NPC1CYP17A1CYP19A1
SCHEMBL14422361 0.82 CYP17A1 (0.36) ALDH1A1EPHX1NPC1CYP17A1CYP19A1
SCHEMBL8491932 0.80 CYP17A1 (0.33) ALDH1A1EPHX1NPC1CYP17A1CYP19A1
SCHEMBL2739853 0.78 CYP17A1 (0.38) ALDH1A1EPHX1NPC1CYP17A1CYP19A1
SCHEMBL13113318 0.77 ALDH1A1 (0.32) ALDH1A1NPC1CYP17A1CYP19A1
SCHEMBL2740749 0.76 CYP17A1 (0.35) ALDH1A1EPHX1NPC1CYP17A1CYP19A1
SCHEMBL17166860 0.74
SCHEMBL785890 0.72 ALDH1A1 (0.38) ALDH1A1CYP17A1CYP19A1EPHX2
SCHEMBL13963909 0.71 CYP17A1 (0.38) CYP17A1CYP19A1NPSR1
SCHEMBL4817900 0.70 NAAA (0.32) NAAA

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
EP-1091248-B1 Postive-working resist composition FUJIFILM CORP (JP) 2012-05-30 EP disclosed
EP-1906247-A1 Resist composition and pattern forming method using the same FUJIFILM Corporation (JP) 2008-04-02 EP disclosed