SCHEMBL8711631

SCHEMBL8711631

FC(COc1ccc2c(c1)oc1ccccc12)=C1CC2CCN1CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.43
▸ XDH P47989 3/20 0.41
▸ THRB P10828 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ AKR1C1 Q04828 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HPGD P15428 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ ACHE P22303 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL8716933 0.81 THRB (0.63) THRBHTTMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL8714082 0.80 THRB (0.62) THRBHTTMAPTMEN1KMT2A
SCHEMBL8901182 0.77 HTT (0.67) LMNAXDHTHRBHTTAKR1C3
SCHEMBL8901190 0.77 HTT (0.67) LMNAXDHTHRBHTTAKR1C3
SCHEMBL8901198 0.77 HTT (0.67) LMNAXDHTHRBHTTAKR1C3
Hydrochloric Acid SCHEMBL8712061 0.67 THRB (0.52) THRBHTTMAPTMEN1KMT2A
SCHEMBL8711566 0.67 THRB (0.51) THRBHTTMAPTMEN1KMT2A
SCHEMBL8714601 0.67 THRB (0.51) THRBHTTMAPTMEN1KMT2A
SCHEMBL7965236 0.65 ALDH1A1 (0.57) LMNAXDHAKR1C3AKR1C2AKR1C1
SCHEMBL7245118 0.65 NPC1 (0.51) LMNAXDHAKR1C3AKR1C2AKR1C1

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-5830902-A SQUALENE SYNTHASE INHIBITOR YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-03 — — US disclosed
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