SCHEMBL17152121

SCHEMBL17152121

Oc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc(OCCN2CCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.78
SIGMAR1 Q99720 1/20 0.78
ESR1 P03372 18/20 0.76
ESR2 Q92731 14/20 0.73

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
SCHEMBL2811903 0.92 EBP (0.88) EBPSIGMAR1ESR1ESR2
SCHEMBL2817373 0.91 EBP (0.86) EBPSIGMAR1ESR1ESR2
SCHEMBL13350303 0.91 EBP (0.86) EBPSIGMAR1ESR1ESR2
SCHEMBL2811811 0.91 EBP (0.86) EBPSIGMAR1ESR1ESR2
SCHEMBL20387891 0.88 EBP (0.79) EBPSIGMAR1ESR1ESR2
Nafoxidine SCHEMBL153125 0.88 EBP (1.00) EBPSIGMAR1ESR1ESR2
Nafoxidine SCHEMBL10563464 0.88 EBP (1.00) EBPSIGMAR1ESR1ESR2
Nafoxidine SCHEMBL29494604 0.88 EBP (1.00) EBPSIGMAR1ESR1ESR2
SCHEMBL10025771 0.88 EBP (0.81) EBPSIGMAR1ESR1ESR2
Nafoxidine SCHEMBL29562423 0.87 EBP (0.98) EBPSIGMAR1ESR1ESR2

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