SCHEMBL17152127

SCHEMBL17152127

CN(C)CCOc1ccc(C2=C(c3ccccc3)CCc3ccccc32)cc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.69
ESR2 Q92731 10/20 0.69
EBP Q15125 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
LSS P48449 1/20 0.51
LTA4H P09960 2/20 0.49
HTR7 P34969 1/20 0.47

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
SCHEMBL8004280 0.93 ESR1 (0.70) ESR1ESR2EBPSIGMAR1LTA4H
SCHEMBL6756238 0.91 ESR1 (0.80) ESR1ESR2EBPSIGMAR1LSS
SCHEMBL6756246 0.85 ESR1 (0.72) ESR1ESR2EBPSIGMAR1LSS
SCHEMBL13350201 0.84 ESR1 (0.71) ESR1ESR2EBPSIGMAR1
SCHEMBL8004295 0.81 ESR1 (0.55) ESR1ESR2EBPSIGMAR1LTA4H
SCHEMBL11187322 0.80 ESR1 (0.55) ESR1ESR2EBPSIGMAR1LTA4H
SCHEMBL5732868 0.79 ESR1 (0.62) ESR1ESR2EBPSIGMAR1LSS
SCHEMBL6756233 0.79 ESR1 (0.68) ESR1ESR2EBPSIGMAR1LTA4H
SCHEMBL5732864 0.79 ESR1 (0.62) ESR1ESR2EBPSIGMAR1LSS
SCHEMBL8004275 0.78 ESR1 (0.54) ESR1ESR2LTA4H

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
US-9687458-B2 Trans-clomiphene for use in cancer therapy REPROS THERAPEUTICS INC. (US) 2017-06-27 US disclosed
US-20150283099-A1 Trans-Clomiphene for Use in Cancer Therapy REPROS THERAPEUTICS INC. (US) 2015-10-08 US disclosed