SCHEMBL7777345

SCHEMBL7777345

COc1ccc(-c2cc(O)ccc2Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.57
BACE1 P56817 2/20 0.56
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TP53 P04637 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPK1 P28482 1/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NOD2 Q9HC29 1/20 0.49
MIF P14174 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
SIRT3 Q9NTG7 1/20 0.49
ERAP1 Q9NZ08 1/20 0.49
GAA P10253 1/20 0.49
ABL1 P00519 3/20 0.49

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
SCHEMBL7778332 0.89 ESR2 (0.57) ESR2BACE1NPC1RAB9ATP53
SCHEMBL7777307 0.85 ABL1 (0.50) ESR2BACE1NPC1RAB9ATP53
SCHEMBL7777398 0.82 ESR1 (0.48) ESR2MEN1KMT2AABL1ABCB1
SCHEMBL11078733 0.81 ESR2 (0.61) ESR2BACE1NPC1RAB9ATP53
SCHEMBL7775876 0.80 ESR2 (0.59) ESR2BACE1NPC1RAB9ATP53
SCHEMBL1847771 0.79 GAA (0.65) ESR2BACE1NPC1RAB9ATP53
SCHEMBL7777203 0.79 ESR2 (0.57) ESR2BACE1NPC1RAB9ATP53
SCHEMBL30610973 0.78 HDAC3 (0.51) ESR2RAB9ATP53SMN1; SMN2MAPK1
SCHEMBL16900562 0.77 ESR2 (0.72) ESR2BACE1NPC1RAB9ATP53
SCHEMBL24181236 0.76 ESR2 (0.62) ESR2BACE1NPC1RAB9ATP53

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-1121125-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2001-08-08 EP claimed
WO-2000021535-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2000-04-20 WO claimed
EP-1121125-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2001-08-08 EP disclosed
WO-2000021535-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2000-04-20 WO disclosed