SCHEMBL8949502

SCHEMBL8949502

O=C1C=CC2=Nc3ccc(O)cc3C3(CCC(O)CC3)C2=C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.31
CYP19A1 P11511 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
SCHEMBL8949339 0.76
SCHEMBL562630 0.76 ALDH1A1 (0.33)
SCHEMBL9225122 0.73 ESR2 (0.31)
SCHEMBL9165781 0.65 ESR1 (0.51)
SCHEMBL7876604 0.65 PDE3B (0.43) CYP19A1
SCHEMBL8994244 0.64 PDE3B (0.42) CYP19A1
SCHEMBL9168379 0.62 MAOA (0.43)
SCHEMBL9166727 0.62 ESR1 (0.38)
SCHEMBL23767778 0.60
SCHEMBL9170769 0.59 PDE3B (0.37)

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-5567624-A DYE BONDED TO SOLID SUPPORT THROUGH HYDRAZINE TYPE LINKAGE UTAH MEDICAL PRODUCTS, INC. (US) 1996-10-22 US disclosed