SCHEMBL8598166

SCHEMBL8598166

O=C(c1ccc(OCCCN2CCCC2)cc1)c1c(-c2ccccc2)sc2cc(O)ccc12

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.89
ESR2 Q92731 19/20 0.89
MEN1 O00255 2/20 0.79
ALDH1A1 P00352 2/20 0.79
LMNA P02545 2/20 0.79
TP53 P04637 2/20 0.79
CYP3A4 P08684 2/20 0.79
MAPT P10636 2/20 0.79
ALOX15 P16050 2/20 0.79
KMT2A Q03164 2/20 0.79
HSD17B10 Q99714 2/20 0.79
TDP1 Q9NUW8 2/20 0.79
PLD2 O14939 1/20 0.79
KDM1A O60341 1/20 0.79
NR1I2 O75469 1/20 0.79
USP2 O75604 1/20 0.79
C5 P01031 1/20 0.79
FYN P06241 1/20 0.79
PGR P06401 1/20 0.79
ADRA2A P08913 1/20 0.79

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
SCHEMBL8601892 0.99 ESR1 (0.91) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL8598981 0.99 ESR1 (0.91) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL7627103 0.95 ESR1 (0.98) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL6832651 0.94 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL7626575 0.94 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL7675973 0.94 ESR1 (0.91) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL9081534 0.93 ESR1 (0.91) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL8935077 0.93 ESR1 (0.77) ESR1ESR2MEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL7946139 0.93 ESR1 (0.91) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL8602473 0.92 ESR1 (0.76) ESR1ESR2MEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641791-B1 NOVEL BENZOTHIOPHENE DERIVATIVE TEIKOKU HORMONE MFG CO LTD (JP) 1998-01-28 EP disclosed
US-5556876-A ANTICHOLESTEROL AGENTS USING DERIVATIVES OF BENZOTHIENYL KETONES ELI LILLY AND COMPANY (US) 1996-09-17 US disclosed
US-5472962-A Antiestrogenic agents TEIKOKU HORMONE MFG. CO., LTD. (JP) 1995-12-05 US disclosed
EP-0657162-A1 Methods for lowering serum cholesterol ELI LILLY AND COMPANY (US) 1995-06-14 EP disclosed
EP-0651998-A1 Methods for inhibiting bone loss ELI LILLY AND COMPANY (US) 1995-05-10 EP disclosed
EP-0650724-A1 Methods for inhibiting uterine fibrosis ELI LILLY AND COMPANY (US) 1995-05-03 EP disclosed
EP-0641791-A1 NOVEL BENZOTHIOPHENE DERIVATIVE TEIKOKU HORMONE MFG. CO., LTD. (JP) 1995-03-08 EP disclosed