SCHEMBL24522641

SCHEMBL24522641

CCN(CC)c1ccc2c(OCCCCCCOC(=O)C(C)C)cc(=O)oc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.53
▸ MAPT P10636 4/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ GLA P06280 6/20 0.51
▸ IGLV6-57 P01721 5/20 0.51
▸ HPGD P15428 4/20 0.51
▸ L3MBTL1 Q9Y468 4/20 0.51
▸ ATM Q13315 4/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ CASP1 P29466 3/20 0.51
▸ CASP7 P55210 3/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ KDM4E B2RXH2 6/20 0.50
▸ TDP1 Q9NUW8 3/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ CYP2D6 P10635 1/20 0.50

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
SCHEMBL24523081 0.88 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AGLA
SCHEMBL24522868 0.87 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AGLA
SCHEMBL24531786 0.86 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2AGLA
SCHEMBL24531635 0.86 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AGLA
SCHEMBL24522642 0.86 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AGLA
SCHEMBL24531636 0.82 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AGLA
SCHEMBL24523116 0.82 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AGLA
SCHEMBL24522911 0.82 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AGLA
SCHEMBL24522743 0.81 KCNA3 (0.63) KCNA3
SCHEMBL24522727 0.81 KCNA3 (0.63) KCNA3

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
EP-4015512-A1 OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2022-06-22 — — EP disclosed
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