SCHEMBL24522770

SCHEMBL24522770

CN(C)c1ccc2c(OCCCCCCCOC=O)cc(=O)oc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.45
▸ HDAC1 Q13547 2/20 0.44
▸ IGLV6-57 P01721 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ GLA P06280 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL24522991 0.81 HDAC1 (0.46) KCNA3HDAC1IGLV6-57ALDH1A1CYP3A4
SCHEMBL24522730 0.81 HDAC1 (0.52) KCNA3HDAC1IGLV6-57ALDH1A1GLA
SCHEMBL24522922 0.75 KCNA3 (0.48) KCNA3HDAC1MEN1KMT2ACA12
SCHEMBL24531786 0.74 ALDH1A1 (0.58) KCNA3HDAC1IGLV6-57ALDH1A1GLA
SCHEMBL24522780 0.73 KCNA3 (0.40) KCNA3HDAC1CA12CA1CA9
SCHEMBL24522911 0.73 ALDH1A1 (0.54) KCNA3HDAC1IGLV6-57ALDH1A1GLA
SCHEMBL24523081 0.71 ALDH1A1 (0.54) KCNA3HDAC1IGLV6-57ALDH1A1GLA
SCHEMBL24522739 0.71 PRKDC (0.45) KCNA3ALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL1395286 0.70 IGLV6-57 (0.51) IGLV6-57ALDH1A1GLACYP3A4HPGD
SCHEMBL27473166 0.70 IGLV6-57 (0.48) IGLV6-57ALDH1A1GLACYP3A4HPGD

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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