SCHEMBL22106596

SCHEMBL22106596

CCC1(COCCCCCCOCCCCCCOCCCCCCOCC2(CC)OC2C)OC1C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAPT P10636 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
SCHEMBL22106322 1.00 ALDH1A1 (0.32) ALDH1A1TDP1MEN1THRBHTT
SCHEMBL22091890 0.98 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL28919282 0.93 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL28600699 0.93 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL28601370 0.92 ALDH1A1 (0.42) ALDH1A1TDP1MEN1THRBHTT
SCHEMBL22091888 0.89 — —
SCHEMBL22091885 0.89 — —
SCHEMBL22106556 0.81 RARB (0.40) —
SCHEMBL22106321 0.79 HRH3 (0.41) —
SCHEMBL22106316 0.77 HRH3 (0.41) ALDH1A1MEN1KMT2AMAPT

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
WO-2020121577-A1 EPOXY COMPOUND JNC株式会社 2020-06-18 — — WO disclosed
Send feedback