SCHEMBL8501370

SCHEMBL8501370

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
MMP3 P08254 2/20 0.39
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
BACE1 P56817 3/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ABCG2 Q9UNQ0 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ABCC1 P33527 1/20 0.37
GPR84 Q9NQS5 1/20 0.37

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
SCHEMBL8501042 0.90 ESR1 (0.40) L3MBTL1TDP1ESR1ESR2KDM4E
SCHEMBL8500428 0.90 ESR1 (0.41) L3MBTL1TDP1ESR1ESR2ALDH1A1
SCHEMBL8500327 0.89 ESR1 (0.42) L3MBTL1TDP1ESR1ESR2KDM4E
SCHEMBL8497554 0.88 L3MBTL1 (0.51) L3MBTL1TDP1ESR1ESR2MMP3
SCHEMBL8498114 0.88 ESR1 (0.46) ESR1ESR2KDM4ENPC1RAB9A
SCHEMBL8499012 0.86 NPBWR1 (0.40) L3MBTL1TDP1ESR1ESR2KDM4E
SCHEMBL8501225 0.85 ESR1 (0.43) L3MBTL1TDP1ESR1ESR2KDM4E
SCHEMBL8500300 0.83 CYP1A2 (0.40) L3MBTL1TDP1ESR1ESR2GAA
SCHEMBL8500218 0.83 THRA (0.36) L3MBTL1TDP1ESR1ESR2ALDH1A1
SCHEMBL8499724 0.82 ESR1 (0.45) L3MBTL1TDP1ESR1ESR2BACE1

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