SCHEMBL9451189

SCHEMBL9451189

CCN(CC)CCOc1ccc(C(=C(CCl)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.72
EBP Q15125 6/20 0.72
KMT2A Q03164 5/20 0.72
MAPT P10636 5/20 0.72
SIGMAR1 Q99720 4/20 0.72
HTR6 P50406 4/20 0.72
MEN1 O00255 4/20 0.72
KCNH2 Q12809 3/20 0.72
CHRM2 P08172 3/20 0.72
ADRA2A P08913 3/20 0.72
ADORA3 P0DMS8 3/20 0.72
CHRM1 P11229 3/20 0.72
PTGS1 P23219 3/20 0.72
SLC6A2 P23975 3/20 0.72
SLC6A4 P31645 3/20 0.72
DRD3 P35462 3/20 0.72
SLC6A3 Q01959 3/20 0.72
PGR P06401 3/20 0.72
CYP2D6 P10635 3/20 0.72
KDM4E B2RXH2 3/20 0.72

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
SCHEMBL9451187 1.00 ESR1 (0.72) ESR1EBPKMT2AMAPTSIGMAR1
SCHEMBL906173 0.90 HTR6 (0.77) ESR1EBPKMT2AMAPTSIGMAR1
SCHEMBL906174 0.90 HTR6 (0.77) ESR1EBPKMT2AMAPTSIGMAR1
SCHEMBL17164687 0.89 ESR1 (0.79) ESR1EBPKMT2AMAPTSIGMAR1
SCHEMBL17164682 0.89 ESR1 (0.79) ESR1EBPKMT2AMAPTSIGMAR1
SCHEMBL8140749 0.89 ESR1 (0.74) ESR1EBPKMT2AMAPTSIGMAR1
SCHEMBL14044785 0.87 ESR1 (0.71) ESR1EBPKMT2AMAPTSIGMAR1
SCHEMBL7801089 0.86 ESR1 (0.67) ESR1EBPKMT2AMAPTSIGMAR1
Zuclomiphene SCHEMBL34894 0.84 ESR1 (1.00) ESR1EBPKMT2AMAPTSIGMAR1
Enclomiphene SCHEMBL20594021 0.84 ESR1 (1.00) ESR1EBPKMT2AMAPTSIGMAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0547179-A4 TRIARYLETHYLENE CARBOXYLIC ACIDS WITH ESTROGENIC ACTIVITY 1993-08-04 EP disclosed
EP-0547179-A1 TRIARYLETHYLENE CARBOXYLIC ACIDS WITH ESTROGENIC ACTIVITY UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1993-06-23 EP disclosed
US-5189212-A Used in estrogen replacement therapy like menopause, osteoporosis therapy, prevention of excessive hair growth of body and infertility UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1993-02-23 US disclosed
WO-1992004310-A1 TRIARYLETHYLENE CARBOXYLIC ACIDS WITH ESTROGENIC ACTIVITY UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1992-03-19 WO disclosed