SCHEMBL8501340

SCHEMBL8501340

CCC(=O)Oc1ccc(Oc2c(-c3ccccc3)ccc3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.48
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PPARG P37231 5/20 0.42
PPARA Q07869 5/20 0.42
ESR1 P03372 4/20 0.41
HIF1A Q16665 2/20 0.41
RECQL P46063 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
ESR2 Q92731 2/20 0.40

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
SCHEMBL8497554 0.92 L3MBTL1 (0.51) ELANEMAPTTP53KMT2ASMN1; SMN2
SCHEMBL8501206 0.92 MAPT (0.45) ELANEMAPTTP53KMT2ASMN1; SMN2
SCHEMBL8500438 0.91 MAPT (0.44) ELANEMAPTTP53KMT2ASMN1; SMN2
SCHEMBL8500292 0.89 ESR1 (0.47) ELANEMAPTTP53KMT2ASMN1; SMN2
SCHEMBL8500385 0.88 TDP1 (0.47) ELANEMAPTTP53TDP1L3MBTL1
SCHEMBL8497579 0.80 SMN1; SMN2 (0.42) MAPTTP53KMT2ASMN1; SMN2RAB9A
SCHEMBL8499778 0.80 ESR1 (0.54) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL6239365 0.80 SRD5A2 (0.49) MAPTALDH1A1LMNAHTT
SCHEMBL8501370 0.79 L3MBTL1 (0.48) MAPTKMT2ARAB9ANPC1TDP1
SCHEMBL8502205 0.79 MTNR1A (0.43) TDP1L3MBTL1ESR1ESR2CYP2C9

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