SCHEMBL19984820

SCHEMBL19984820

OC(I)C(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.42
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP2D6 P10635 1/20 0.40
SRC P12931 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
DPP4 P27487 1/20 0.39

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
SCHEMBL19984819 0.87 LMNA (0.44) LMNATSHRKDM4EL3MBTL1ADRA2A
SCHEMBL19984686 0.87 IDO1 (0.47) LMNAMAPK1TSHRKDM4EL3MBTL1
SCHEMBL19984817 0.82 ACP3 (0.54) LMNATSHRL3MBTL1CYP2D6ALDH1A1
SCHEMBL19984685 0.82 TSHR (0.46) TSHRCYP2D6
SCHEMBL26067052 0.77
SCHEMBL2336389 0.77
SCHEMBL4348933 0.77 LMNA (0.48) LMNAMAPK1TSHRKDM4EL3MBTL1
SCHEMBL448348 0.75 DPP4 (0.53) LMNAMAPK1TSHRCYP2D6SRC
SCHEMBL26608146 0.74 ADRA2C (0.54) LMNAMAPK1TSHRKDM4EADRA2A
SCHEMBL19984778 0.74 TSHR (0.54) LMNAMAPK1TSHRKDM4EL3MBTL1

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-2306986-B1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX LLC (US) 2018-03-21 EP disclosed