SCHEMBL12130522

SCHEMBL12130522

CCC(C)C(=O)NCCN(CC)CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 1/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
ACHE P22303 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP2D6 P10635 2/20 0.42
USP2 O75604 1/20 0.42
BLM P54132 2/20 0.41
PMP22 Q01453 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
P4HB P07237 1/20 0.40
HTT P42858 1/20 0.40
NFKB1 P19838 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL5961259 0.89 ALDH1A1 (0.50) ALDH1A1TSHRLMNAUSP2GAA
SCHEMBL12225637 0.84 ALDH1A1 (0.45) ALDH1A1TSHRLMNAKMT2ASLC22A2
SCHEMBL407525 0.82 USP2 (0.48) ALDH1A1TSHRKMT2AUSP2GAA
SCHEMBL13266443 0.82 TSHR (0.65) ALDH1A1TSHRLMNAKMT2ASLC22A2
SCHEMBL14607022 0.81 GAA (0.37) TSHRCYP2D6USP2GAA
SCHEMBL14153993 0.81 TSHR (0.61) ALDH1A1TSHRKMT2AUSP2GAA
SCHEMBL12464697 0.81 ALDH1A1 (0.42) ALDH1A1TSHRLMNAKMT2ASLC22A2
SCHEMBL3664738 0.79 ALDH1A1 (0.42) ALDH1A1TSHRLMNAKMT2ASLC22A2
SCHEMBL17853878 0.77 USP2 (0.50) ALDH1A1TSHRKMT2AMAPK1USP2
SCHEMBL5021623 0.77 TSHR (0.50) TSHRKMT2AUSP2GAACYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3889146-A1 POLYHETEROCYCLIC TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 EP disclosed
US-8063162-B2 Polymer for an ink receiving layer of an inkjet recording element HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2011-11-22 US disclosed
US-20110160416-A1 POLYMER FOR AN INK RECEIVING LAYER OF AN INKJET RECORDING ELEMENT CHEN TIENTEH 2011-06-30 US disclosed
US-7923117-B2 first monomer of the polymer includes at least one amine functional group; aminoethylmethacrylate; aminoethylacrylate; second monomer includes a carbon backbone having at least one silane functional group pendant; prevent dye from migrating HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2011-04-12 US disclosed
US-20080182936-A1 POLYMER FOR AN INK RECEIVING LAYER OF AN INKJET RECORDING ELEMENT HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2008-07-31 US disclosed