SCHEMBL28439986

SCHEMBL28439986

Cc1cccc(OC(C)Oc2cccc(CC(C)C)c2CC(C)C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
HTR1B P28222 1/20 0.36
MAPT P10636 5/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ELANE P08246 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL5325948 0.80 MAPT (0.47) HTR1BMAPTMEN1KMT2ALMNA
SCHEMBL7076726 0.78 GABRA1 (0.40) GABRA1GABRB2ELANE
Hydrochloric Acid SCHEMBL11421175 0.77 GABRA1 (0.39) GABRA1GABRB2KMT2AELANE
SCHEMBL10345092 0.76 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL7532649 0.75 GABRA1 (0.38) GABRA1GABRB2
Hydrochloric Acid SCHEMBL8053687 0.74 GABRA1 (0.37) GABRA1GABRB2
Hydrochloric Acid SCHEMBL10494208 0.74 GABRA1 (0.34) GABRA1GABRB2KMT2A
SCHEMBL11677650 0.73 GABRA1 (0.56) GABRA1GABRB2MAPTMAPK1HSD17B10
SCHEMBL5685706 0.73 GABRA1 (0.52) GABRA1GABRB2HTTELANEL3MBTL1
SCHEMBL1842279 0.71 TRPA1 (0.40) GABRA1GABRB2HTR1BMAPTMEN1

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
CN-111529684-A Use of oral sustained release compositions containing cyclosporin 卓越治疗有限公司 2020-08-14 CN disclosed