SCHEMBL8501206

SCHEMBL8501206

CCC(=O)Oc1ccc(Oc2c(-c3ccc(O)cc3)ccc3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
TP53 P04637 1/20 0.45
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ESR1 P03372 11/20 0.42
ESR2 Q92731 9/20 0.42
ELANE P08246 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
HIF1A Q16665 2/20 0.39
RECQL P46063 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL8501340 0.92 ELANE (0.48) MAPTTP53KMT2ASMN1; SMN2NPC1
SCHEMBL8497554 0.91 L3MBTL1 (0.51) MAPTTP53KMT2ASMN1; SMN2NPC1
SCHEMBL8500438 0.90 MAPT (0.44) MAPTTP53KMT2ASMN1; SMN2NPC1
SCHEMBL8499778 0.88 ESR1 (0.54) MAPTKMT2ASMN1; SMN2NPC1NFKB1
SCHEMBL8500292 0.88 ESR1 (0.47) MAPTTP53KMT2ASMN1; SMN2NPC1
SCHEMBL8500428 0.86 ESR1 (0.41) ESR1ESR2TDP1L3MBTL1PPARG
SCHEMBL8501462 0.85 ESR1 (0.47) MAPTTP53KMT2AESR1ESR2
SCHEMBL8497550 0.83 ESR1 (0.49) MAPTTP53KMT2ASMN1; SMN2NPC1
SCHEMBL8500385 0.82 TDP1 (0.47) MAPTTP53ELANETDP1L3MBTL1
SCHEMBL8500225 0.82 ESR1 (0.48) KMT2AESR1ESR2ALDH1A1KDM4E

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 1 patent. 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 disclosed