SCHEMBL8499778

SCHEMBL8499778

CCC(=O)Oc1ccc(Oc2c(-c3ccc(O)cc3)ccc3cc(O)ccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.54
ESR2 Q92731 16/20 0.54
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RECQL P46063 1/20 0.39
HIF1A Q16665 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL8497550 0.94 ESR1 (0.49) ESR1ESR2KMT2ASMN1; SMN2NPC1
SCHEMBL8497867 0.93 ESR1 (0.57) ESR1ESR2
SCHEMBL8500225 0.93 ESR1 (0.48) ESR1ESR2KMT2A
SCHEMBL8501462 0.92 ESR1 (0.47) ESR1ESR2KMT2AMAPT
SCHEMBL8499330 0.92 ESR1 (0.53) ESR1ESR2KMT2ARAB9A
SCHEMBL8501028 0.90 ESR1 (0.56) ESR1ESR2
SCHEMBL8500471 0.88 ESR1 (0.51) ESR1ESR2
SCHEMBL8501206 0.88 MAPT (0.45) ESR1ESR2KMT2ASMN1; SMN2RECQL
SCHEMBL8498096 0.87 ESR1 (0.48) ESR1ESR2KMT2ASMN1; SMN2NPC1
SCHEMBL8498071 0.86 ESR1 (0.60) ESR1ESR2

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-5916916-A USEFUL AS SELECTIVE ESTROGEN RECEPTOR MODULATORS. ELI LILLY AND COMPANY (US) 1999-06-29 US claimed
US-5916916-A USEFUL AS SELECTIVE ESTROGEN RECEPTOR MODULATORS. ELI LILLY AND COMPANY (US) 1999-06-29 US disclosed