SCHEMBL9761192

SCHEMBL9761192

CC(C)(COCC(=O)N(C1CCCCC1)C1CCCCC1)COCC(=O)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ TSHR P16473 3/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD11B1 P28845 2/20 0.37
▸ GAA P10253 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL2582061 0.84 KMT2A (0.44) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL2842929 0.84 KMT2A (0.53) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL701404 0.84 KMT2A (0.53) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL6002977 0.81 KMT2A (0.48) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL27349878 0.79 KMT2A (0.39) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL28645343 0.77 KMT2A (0.48) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL2579241 0.77 KMT2A (0.38) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL2091299 0.77 KMT2A (0.50) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL27349884 0.76 KMT2A (0.37) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL29152720 0.76 KMT2A (0.47) KMT2AMEN1TSHRALDH1A1POLB

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
US-5023374-A For strips or membranes used in determinations of lithium ion concentration in fluids FIRMA WILLI MOLLER (CH) 1991-06-11 — — US disclosed
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