SCHEMBL9561475

SCHEMBL9561475

CC(c1ccc(O)cc1)C(C)(C)N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.52
ESR2 Q92731 7/20 0.52
PDCD1 Q15116 1/20 0.52
CD274 Q9NZQ7 1/20 0.52
SLC6A2 P23975 3/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 2/20 0.41
AR P10275 2/20 0.41
SLC6A3 Q01959 2/20 0.41
ALOX15 P16050 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 1/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP2C9 P11712 1/20 0.41
DRD1 P21728 1/20 0.41

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
SCHEMBL25596210 1.00 ESR1 (0.52) ESR1ESR2PDCD1CD274SLC6A2
SCHEMBL14411802 0.81 ESR1 (0.56) ESR1ESR2PDCD1CD274SLC6A2
SCHEMBL8751432 0.81 ESR1 (0.56) ESR1ESR2PDCD1CD274SLC6A2
SCHEMBL20706326 0.79 CHRNA7 (0.39) LMNASLC6A3TDP1TSHR
SCHEMBL25596183 0.78 ESR1 (0.43) ESR1ESR2PDCD1CD274SLC6A2
SCHEMBL22074723 0.78 BLM (0.47) ESR1ESR2PDCD1CD274SLC6A2
SCHEMBL22074727 0.78 BLM (0.47) ESR1ESR2PDCD1CD274SLC6A2
SCHEMBL25597560 0.78 BLM (0.47) ESR1ESR2PDCD1CD274SLC6A2
SCHEMBL19262086 0.77 ESR1 (0.52) ESR1ESR2PDCD1CD274SLC6A2
Pentorex SCHEMBL160519 0.76 TAAR1 (0.44) LMNASLC6A3CHRM2CHRM1ADRA1A

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-5254223-A Electrochemical polymerization of poly(oxyphenylene) or poly(oxynaphthylene) JOSOWICZ MIRA (DE) 1993-10-19 US disclosed