SCHEMBL7738182

SCHEMBL7738182

O=C(c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1-c1ccc(O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.64
ESR2 Q92731 15/20 0.64
MEN1 O00255 2/20 0.63
ALDH1A1 P00352 2/20 0.63
LMNA P02545 2/20 0.63
TP53 P04637 2/20 0.63
CYP3A4 P08684 2/20 0.63
MAPT P10636 2/20 0.63
ALOX15 P16050 2/20 0.63
KMT2A Q03164 2/20 0.63
HSD17B10 Q99714 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
PLD2 O14939 1/20 0.63
KDM1A O60341 1/20 0.63
NR1I2 O75469 1/20 0.63
USP2 O75604 1/20 0.63
C5 P01031 1/20 0.63
FYN P06241 1/20 0.63
PGR P06401 1/20 0.63
ADRA2A P08913 1/20 0.63

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
SCHEMBL3092657 0.99 ESR1 (0.65) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL8708988 0.93 ESR1 (0.67) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL8593768 0.93 ESR1 (0.67) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL7748549 0.93 ESR1 (0.66) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL7352552 0.89 LTA4H (0.65) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL8599886 0.85 ESR1 (0.65) ESR1ESR2MAPTDRD2DRD3
SCHEMBL8333677 0.85 ESR1 (0.60) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL227625 0.84 ESR1 (0.63) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL7445638 0.84 LTA4H (0.70) ESR1ESR2ALDH1A1DRD2DRD1
SCHEMBL7443174 0.83 PSMB1 (0.70) ESR1ESR2ALDH1A1DRD2DRD1

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-0975629-A4 TREATMENT OR PROPHYLAXIS OF PROSTATIC CANCER AND BENIGN PROSTATIC HYPERPLASIA WITH SELECTIVE ESTROGEN RECEPTOR MODULATORS LILLY CO ELI (US) 2001-03-21 EP disclosed
EP-0975629-A1 TREATMENT OR PROPHYLAXIS OF PROSTATIC CANCER AND BENIGN PROSTATIC HYPERPLASIA WITH SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
WO-1998045288-A1 TREATMENT OR PROPHYLAXIS OF PROSTATIC CANCER AND BENIGN PROSTATIC HYPERPLASIA WITH SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 1998-10-15 WO disclosed
US-5523416-A Process for preparing 3-(4-aminoethoxy-benzoyl) benzo (B)-thiophenes ELI LILLY AND COMPANY (US) 1996-06-04 US disclosed