SCHEMBL23949491

SCHEMBL23949491

CC[C@H]1[C@@H](C)c2cc(C(=O)O)ccc2N[C@H]1c1ccc(C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ POLB P06746 3/20 0.42
▸ GAA P10253 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ APOBEC3A P31941 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ MAPT P10636 5/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ HPGD P15428 2/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ GRK6 P43250 1/20 0.40
▸ AR P10275 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.36
▸ MASP2 O00187 1/20 0.36
▸ HSPA1A P0DMV8 1/20 0.36

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
SCHEMBL23949921 0.81 NR4A1 (0.41) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL23949460 0.79 HNF4A (0.39) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL23949908 0.76 DYRK2 (0.41) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL13923892 0.76 KDM4E (0.44) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL23949937 0.75 MEN1 (0.73) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL23950051 0.75 ESR1 (0.58) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL23949791 0.70 POLB (0.44) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL23949923 0.69 MAPT (0.44) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL23949930 0.69 MAPT (0.40) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL14020880 0.69 KIF11 (0.54) MEN1KMT2AGAAKDM4EAR

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-2021209689-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING SWEET POTATO AGAINST SWEET POTATO PATHOGENIC VIRUSES HELSINGIN YLIOPISTO (FI) 2021-10-21 — — WO disclosed
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