SCHEMBL21100519

SCHEMBL21100519

CC(C)(C)Sc1ccc(Sc2ccc(SC(C)(C)C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.48
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 2/20 0.41
NR1H2 P55055 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 4/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
AR P10275 1/20 0.38
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
HTT P42858 3/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
DDAH1 O94760 1/20 0.35
NOS1 P29475 1/20 0.35
MLYCD O95822 1/20 0.34
ALDH1A1 P00352 4/20 0.33

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
SCHEMBL18892609 0.82 KIF11 (0.50) SLC6A4KDM4EHSD17B10TSHRLMNA
SCHEMBL22297610 0.81 SLC6A4 (0.37) SLC6A4KDM4EHSD17B10TSHRLMNA
SCHEMBL10871691 0.81 HPGD (0.73) SLC6A4MAPK1HPGDLMNAL3MBTL1
SCHEMBL13923556 0.80 SLC6A4 (0.47) SLC6A4KDM4EHSD17B10ARHTT
SCHEMBL333951 0.80 SLC6A4 (0.47) SLC6A4KDM4EHSD17B10TSHRHPGD
SCHEMBL18892640 0.78 RAB9A (0.52) SLC6A4KDM4EMAPK1TSHRHPGD
SCHEMBL2737144 0.78 SLC6A4 (0.45) SLC6A4KDM4EHSD17B10MAPK1CYP3A4
SCHEMBL15063439 0.78 SLC6A4 (0.45) SLC6A4KDM4EHSD17B10HPGDLMNA
SCHEMBL5546729 0.78 SLC6A4 (0.45) SLC6A4KDM4EHSD17B10HPGDLMNA
SCHEMBL7937564 0.78 SLC6A4 (0.45) SLC6A4KDM4EHSD17B10MAPK1L3MBTL1

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-10329451-B2 All-organic high refractive index materials BREWER SCIENCE, INC. (US) 2019-06-25 US disclosed