SCHEMBL17023981

SCHEMBL17023981

CCCCC(C)(OC(=O)CCC)C(=O)O.CCCCC(O)(CC(=O)CCC)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
HTR2C P28335 1/20 0.30

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
SCHEMBL17023958 0.85 ALDH1A1 (0.40) KMT2ATDP1ALDH1A1
SCHEMBL17023973 0.85 ALDH1A1 (0.40) KMT2ATDP1ALDH1A1
SCHEMBL15618808 0.85 ALDH1A1 (0.40) KMT2ATDP1ALDH1A1
SCHEMBL1716122 0.84 KMT2A (0.39) KMT2ATDP1L3MBTL1ALDH1A1MAPT
SCHEMBL8997387 0.76 PAM (0.51) KMT2ATDP1ALDH1A1
SCHEMBL17023960 0.74 NAAA (0.38) ALDH1A1
SCHEMBL17023972 0.74 NAAA (0.38) ALDH1A1
SCHEMBL17023971 0.74 NAAA (0.38) ALDH1A1
SCHEMBL28022715 0.73 PAM (0.47) KMT2ATDP1ALDH1A1
SCHEMBL28246112 0.73 PAM (0.47) KMT2ATDP1ALDH1A1

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-20150240272-A1 LACTATE PRODUCTION PROCESS PLAXICA LIMITED (GB) 2015-08-27 US disclosed