SCHEMBL11226329

SCHEMBL11226329

C=C1CCCCC1(c1ccc(OC(C)=O)cc1)c1ccc(OC(C)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
PGR P06401 1/20 0.47
CHRM2 P08172 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
AR P10275 1/20 0.47
CHRM1 P11229 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MAPT P10636 6/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.42
GLA P06280 1/20 0.41
PTPN1 P18031 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
SCHEMBL8845648 0.80 SLC6A4 (0.45) SLC6A2SLC6A3MAPTKDM4ECYP3A4
SCHEMBL10907042 0.74 ADORA3 (0.52) ESR1PGRCHRM2ADORA3AR
SCHEMBL14357615 0.73 ESR1 (0.49) ESR1PGRCHRM2ADORA3AR
SCHEMBL4813960 0.71 KMT2A (0.60) ESR1PGRCHRM2ADORA3AR
SCHEMBL13144066 0.71 MAPT (0.55) ESR1PGRCHRM2ADORA3AR
SCHEMBL1256640 0.70 ELANE (0.51) ESR1PGRCHRM2ADORA3AR
SCHEMBL22582661 0.70 ADORA3 (0.45) ESR1PGRCHRM2ADORA3AR
SCHEMBL4808279 0.70 MAPT (0.51) ESR1PGRCHRM2ADORA3AR
SCHEMBL13242034 0.70 LMNA (0.62) ESR1PGRCHRM2ADORA3AR
SCHEMBL15179068 0.70 MAPT (0.54) ESR1PGRCHRM2ADORA3AR

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-4310523-A Combined antiestrogens and antigonadotropically effective antiandrogens for the prophylaxis and therapy of hyperplasia of the prostate SCHERING AKTIENGESELLSCHAFT (DE) 1982-01-12 US claimed
US-9011913-B2 Use of functionalized magnetic nanoparticles in cancer detection and treatment THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-04-21 US disclosed