SCHEMBL8627690

SCHEMBL8627690

CCN(CC)C(=O)/C=C/c1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.60
ESR2 Q92731 7/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL7623508 0.84 ESR1 (0.67) ESR1ESR2
SCHEMBL7623500 0.84 ESR1 (0.67) ESR1ESR2
SCHEMBL19903988 0.83 ESR1 (0.65) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL1665657 0.80 ESR1 (0.86) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL8627695 0.79 CNR1 (0.46) ESR1ESR2
SCHEMBL8628060 0.78 ESR1 (0.74) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL7104864 0.76 ESR1 (1.00) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL31228779 0.76 NPC1 (0.72) ESR1ESR2
SCHEMBL31228704 0.76 NPC1 (0.72) ESR1ESR2
SCHEMBL30558217 0.75 ESR1 (0.70) ESR1ESR2MEN1KMT2ATDP1

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-5827876-A MODIFYING BALANCE BETWEEN BONE RESORPTION AND PRODUCTION AMERICAN HOME PRODUCTS CORPORATION (US) 1998-10-27 US disclosed