SCHEMBL19731918

SCHEMBL19731918

CCC(C)(CC)c1ccc(-c2ccc(C(C)(CC)CC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.48
ESR2 Q92731 4/20 0.48
KIF11 P52732 7/20 0.41
CNR2 P34972 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
CYP17A1 P05093 1/20 0.33
AR P10275 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
XDH P47989 1/20 0.32

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
SCHEMBL22800125 0.89 ESR1 (0.50) ESR1ESR2KIF11HRH3
SCHEMBL20661303 0.83 SLC6A4 (0.41) ESR1ESR2KIF11AR
SCHEMBL19867496 0.83 ESR1 (0.38) ESR1ESR2KIF11CYP17A1
SCHEMBL12407422 0.83 KIF11 (0.44) ESR1ESR2KIF11NPC1RAB9A
SCHEMBL19114331 0.82 ESR1 (0.37) ESR1ESR2KIF11
SCHEMBL19114811 0.82 ESR1 (0.37) ESR1ESR2KIF11
SCHEMBL14038266 0.82 ALDH1A1 (0.41) ESR1ESR2KIF11CYP2C19HIF1A
SCHEMBL19981757 0.81 TSHR (0.55) ESR1ESR2KIF11ARNPC1
SCHEMBL12796179 0.80 ALDH1A1 (0.41) KIF11CYP2C19MAPTRAB9A
SCHEMBL13019390 0.79 MAPT (0.53) ESR1ESR2KIF11NPC1MAPT

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-11024818-B2 Organic light-emitting device CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2021-06-01 US disclosed
US-20170365805-A1 ORGANIC LIGHT-EMITTING DEVICE CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2017-12-21 US disclosed