SCHEMBL18906341

SCHEMBL18906341

COC(=O)CC(N)C(=O)NCCOCCOCCONC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TLR2 O60603 13/20 0.33
▸ SUCNR1 Q9BXA5 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CA12 O43570 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL18906348 1.00 MEN1 (0.39) MEN1KMT2ATLR2SUCNR1GAA
SCHEMBL22398650 0.84 MEN1 (0.47) MEN1KMT2ATLR2CA2
SCHEMBL22398651 0.84 MEN1 (0.47) MEN1KMT2ATLR2CA2
SCHEMBL22687577 0.82 MEN1 (0.43) MEN1KMT2ATLR2SUCNR1CA2
SCHEMBL18906990 0.81 GNAI3 (0.48) MEN1KMT2ATLR2GAACA2
SCHEMBL18906904 0.81 GNAI3 (0.48) MEN1KMT2ATLR2GAACA2
SCHEMBL18906998 0.81 GNAI3 (0.37) TLR2CA2CA1
SCHEMBL21018608 0.80 CA1 (0.42) MEN1KMT2AGAACA2CA1
SCHEMBL20158288 0.79 CA2 (0.40) MEN1KMT2AGAACA12CA2
SCHEMBL17337882 0.78 CA2 (0.55) CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017089890-A1 CONJUGATES COMPRISING SELF-IMMOLATIVE GROUPS AND METHODS RELATED THERETO LEGOCHEM BIOSCIENCES, INC. (KR) 2017-06-01 — — WO disclosed
WO-2017089894-A1 CONJUGATES COMPRISING PEPTIDE GROUPS AND METHODS RELATED THERETO LEGOCHEM BIOSCIENCES, INC. (KR) 2017-06-01 — — WO disclosed
WO-2017089895-A1 ANTIBODY-DRUG CONJUGATES COMPRISING BRANCHED LINKERS AND METHODS RELATED THERETO LEGOCHEM BIOSCIENCES, INC. (KR) 2017-06-01 — — WO disclosed
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