SCHEMBL24523062

SCHEMBL24523062

CCC(=O)SCCCCOc1cc(=O)oc2cc(N(CC)CC)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.53
▸ GLA P06280 7/20 0.53
▸ KDM4E B2RXH2 7/20 0.53
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ MAPT P10636 5/20 0.53
▸ L3MBTL1 Q9Y468 5/20 0.53
▸ HPGD P15428 4/20 0.53
▸ CYP3A4 P08684 4/20 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
▸ CYP2D6 P10635 1/20 0.53
▸ ATM Q13315 5/20 0.51
▸ CASP1 P29466 4/20 0.51
▸ CASP7 P55210 4/20 0.51
▸ HSD17B10 Q99714 4/20 0.51
▸ IGLV6-57 P01721 3/20 0.51
▸ MAPK1 P28482 2/20 0.51

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 0.99 ALDH1A1 (0.52) ALDH1A1GLAKDM4EMEN1KMT2A
SCHEMBL24522621 0.88 ALDH1A1 (0.49) ALDH1A1GLAKDM4EMEN1KMT2A
SCHEMBL24522710 0.87 ALDH1A1 (0.48) ALDH1A1GLAKDM4EMEN1KMT2A
SCHEMBL24522911 0.86 ALDH1A1 (0.54) ALDH1A1GLAKDM4EMEN1KMT2A
SCHEMBL24531644 0.86 ALDH1A1 (0.47) ALDH1A1GLAKDM4EMEN1KMT2A
SCHEMBL24523081 0.84 ALDH1A1 (0.54) ALDH1A1GLAKDM4EMEN1KMT2A
SCHEMBL24531786 0.84 ALDH1A1 (0.58) ALDH1A1GLAKDM4EMEN1KMT2A
SCHEMBL24522641 0.81 ALDH1A1 (0.53) ALDH1A1GLAKDM4EMEN1KMT2A
SCHEMBL24522868 0.80 ALDH1A1 (0.52) ALDH1A1GLAKDM4EMEN1KMT2A
SCHEMBL24531635 0.80 ALDH1A1 (0.51) ALDH1A1GLAKDM4EMEN1KMT2A

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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