SCHEMBL20243735

SCHEMBL20243735

CO[C@@H](C)C1CCC2C(=O)CCC[C@@]21C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.45
▸ CDC25A P30304 2/20 0.38
▸ CDC25B P30305 1/20 0.38
▸ VDR P11473 9/20 0.35
▸ MEN1 O00255 1/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC6 Q9UBN7 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
SCHEMBL8228382 0.85 CYP19A1 (0.43) CYP19A1CDC25ACDC25BVDRMEN1
SCHEMBL13531895 0.85 CYP19A1 (0.43) CYP19A1CDC25ACDC25BVDRMEN1
SCHEMBL2676983 0.84 CYP19A1 (0.42) CYP19A1CDC25ACDC25BVDRMEN1
SCHEMBL2676980 0.84 CYP19A1 (0.42) CYP19A1CDC25ACDC25BVDRMEN1
SCHEMBL5546805 0.84 CYP19A1 (0.42) CYP19A1CDC25ACDC25BVDRMEN1
SCHEMBL12464968 0.84 CYP19A1 (0.49) CYP19A1CDC25ACDC25BVDRMEN1
SCHEMBL13852396 0.84 CYP19A1 (0.49) CYP19A1CDC25ACDC25BVDRMEN1
SCHEMBL13669231 0.84 CYP19A1 (0.49) CYP19A1CDC25ACDC25BVDRMEN1
SCHEMBL9010441 0.84 CYP19A1 (0.49) CYP19A1CDC25ACDC25BVDRMEN1
SCHEMBL5584227 0.83 CYP19A1 (0.41) CYP19A1CDC25ACDC25BVDRHDAC3

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-9994598-B1 Polyene compound, preparation method and use thereof CHEMVON BIOTECHNOLOGY CO., LTD. (CN) 2018-06-12 — — US disclosed
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