SCHEMBL19987540

SCHEMBL19987540

CC1CCCCCCCCCCCCCCC[C@@H]1N

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
EPHX1 P07099 2/20 0.39
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
FUCA1 P04066 3/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
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
SCHEMBL20078374 1.00 THRB (0.53) THRBMEN1KMT2ACA1CA2
SCHEMBL13311907 1.00 THRB (0.53) THRBMEN1KMT2ACA1CA2
SCHEMBL12160544 1.00 THRB (0.53) THRBMEN1KMT2ACA1CA2
SCHEMBL13311550 1.00 THRB (0.53) THRBMEN1KMT2ACA1CA2
SCHEMBL2378219 1.00
SCHEMBL24744320 1.00 THRB (0.53) THRBMEN1KMT2ACA1CA2
SCHEMBL20653815 1.00 THRB (0.53) THRBMEN1KMT2ACA1CA2
SCHEMBL21251132 1.00 THRB (0.53) THRBMEN1KMT2ACA1CA2
SCHEMBL21401506 1.00 THRB (0.53) THRBMEN1KMT2ACA1CA2
Hydrochloric Acid SCHEMBL4042704 0.97 THRB (0.50) THRBMEN1KMT2ACA1CA2

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
EP-2656944-B1 Method for producing an implant BIOTRONIK AG (CH) 2018-03-21 EP disclosed