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SCHEMBL18308558

SCHEMBL18308558

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.40
▸ CYP17A1 P05093 2/20 0.40
▸ NAAA Q02083 1/20 0.32
▸ EPHX2 P34913 1/20 0.31
▸ ALDH1A1 P00352 4/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ LMNA P02545 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
SCHEMBL132052 1.00 CYP19A1 (0.40) CYP19A1CYP17A1NAAAEPHX2ALDH1A1
SCHEMBL18308561 1.00 CYP19A1 (0.40) CYP19A1CYP17A1NAAAEPHX2ALDH1A1
SCHEMBL13992283 0.89 CYP19A1 (0.38) CYP19A1CYP17A1NAAAEPHX2MEN1
SCHEMBL17637719 0.89 CYP19A1 (0.38) CYP19A1CYP17A1EPHX2ALDH1A1LMNA
SCHEMBL131125 0.88 CYP17A1 (0.30) CYP19A1CYP17A1
SCHEMBL132001 0.87 MDH1 (0.34) CYP19A1CYP17A1ALDH1A1
SCHEMBL18308571 0.87 MDH1 (0.34) CYP19A1CYP17A1ALDH1A1
SCHEMBL12304939 0.87 MDH1 (0.34) CYP19A1CYP17A1ALDH1A1
SCHEMBL13992288 0.86 CYP17A1 (0.35) CYP19A1CYP17A1EPHX2MEN1KMT2A
SCHEMBL133088 0.85 GRIN2D (0.32) MEN1KMT2A

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-20160363860-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2016-12-15 — — US disclosed