SCHEMBL24522911

SCHEMBL24522911

CCN(CC)c1ccc2c(OCCCCCSC)cc(=O)oc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.54
▸ GLA P06280 7/20 0.54
▸ L3MBTL1 Q9Y468 5/20 0.54
▸ IGLV6-57 P01721 5/20 0.54
▸ ATM Q13315 5/20 0.54
▸ HPGD P15428 4/20 0.54
▸ CYP3A4 P08684 4/20 0.54
▸ CASP1 P29466 4/20 0.54
▸ CASP7 P55210 4/20 0.54
▸ HSD17B10 Q99714 4/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ KDM4E B2RXH2 7/20 0.53
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ MAPT P10636 5/20 0.53
▸ TDP1 Q9NUW8 4/20 0.53
▸ CYP1A2 P05177 3/20 0.53
▸ CYP2C19 P33261 3/20 0.53
▸ CYP2C9 P11712 2/20 0.53

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
SCHEMBL24523116 0.87 ALDH1A1 (0.52) ALDH1A1GLAL3MBTL1IGLV6-57ATM
SCHEMBL24531786 0.86 ALDH1A1 (0.58) ALDH1A1GLAL3MBTL1IGLV6-57ATM
SCHEMBL24523062 0.86 ALDH1A1 (0.53) ALDH1A1GLAL3MBTL1IGLV6-57ATM
SCHEMBL24522710 0.84 ALDH1A1 (0.48) ALDH1A1GLAL3MBTL1IGLV6-57ATM
SCHEMBL24522621 0.83 ALDH1A1 (0.49) ALDH1A1GLAL3MBTL1IGLV6-57ATM
SCHEMBL24523081 0.83 ALDH1A1 (0.54) ALDH1A1GLAL3MBTL1IGLV6-57ATM
SCHEMBL24522641 0.82 ALDH1A1 (0.53) ALDH1A1GLAL3MBTL1IGLV6-57ATM
SCHEMBL24522868 0.81 ALDH1A1 (0.52) ALDH1A1GLAL3MBTL1IGLV6-57ATM
SCHEMBL24522642 0.80 ALDH1A1 (0.51) ALDH1A1GLAL3MBTL1IGLV6-57ATM
SCHEMBL24531635 0.80 ALDH1A1 (0.51) ALDH1A1GLAL3MBTL1IGLV6-57ATM

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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