SCHEMBL21078748

SCHEMBL21078748

CCC(CC)[C@H](C)CNC

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
TAAR1 Q96RJ0 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
SCHEMBL19223894 1.00 KMT2A (0.32) KMT2ATAAR1
SCHEMBL25591250 0.92
SCHEMBL12441729 0.86 KMT2A (0.31) KMT2A
SCHEMBL23059622 0.86 KMT2A (0.31) KMT2A
SCHEMBL22560992 0.83
SCHEMBL19446915 0.83
SCHEMBL14256442 0.81 ALDH1A1 (0.40) KMT2A
SCHEMBL21716058 0.80 KMT2A (0.31) KMT2A
SCHEMBL26277232 0.80 KMT2A (0.31) KMT2A
SCHEMBL5932647 0.79 TSHR (0.35)

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-20190170705-A1 ENCAPSULATED PRE-ANALYTIC WORKFLOWS FOR FLOW-THROUGH DEVICES, LIQUID CHROMATOGRAPHY AND MASS SPECTROMETRIC ANALYSIS WATERS TECHNOLOGIES CORPORATION 2019-06-06 US disclosed