SCHEMBL8763418

SCHEMBL8763418

CC(C)(NC=O)c1ccccc1C(C)(C)NC=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 3/20 0.34
TSHR P16473 2/20 0.34
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH7 P40394 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
RBP4 P02753 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GAA P10253 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
SCHEMBL8763474 0.84 ADH1B (0.31) ADH1BADH1CADH1AADH7MEN1
SCHEMBL25735130 0.82 MAPK1 (0.36) ALDH1A1MEN1KMT2ANPSR1GAA
SCHEMBL1911380 0.79 HDAC3 (0.41) ALDH1A1ADH1BADH1CADH1AADH7
SCHEMBL6040818 0.77 CA12 (0.41) ALDH1A1TDP1MEN1KMT2ACA2
SCHEMBL8763925 0.76 ALDH1A1 (0.34) ALDH1A1TDP1TSHRCA2
SCHEMBL8763427 0.75 MAPT (0.34) ALDH1A1TSHRNPSR1
SCHEMBL21319759 0.73
SCHEMBL22015342 0.73 SSTR4 (0.50) ALDH1A1NPSR1
SCHEMBL21303793 0.73 GAA (0.46) TSHRGAA
SCHEMBL8916294 0.73 KIF11 (0.42) ALDH1A1MEN1KMT2ALMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0349195-B1 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC (US) 1997-05-21 EP disclosed
US-5629394-A ENDCAPPING ADDITION POLYMERS WITH NITROGEN FUNCTIONAL GROUPS WHICH CAN BE FURTHER DERIVATIZED EXXON CHEMICAL PATENTS INC (US) 1997-05-13 US disclosed
US-5444135-A Polymerization and functionalization with nitrogen-containing functional groups occur simultaneously EXXON CHEMICAL PATENTS INC. (US) 1995-08-22 US disclosed
US-5336745-A Terminally-substituted polymeric compositions from cationically polymerizable monomers and initiators EXXON CHEMICAL PATENTS INC. (US) 1994-08-09 US disclosed
US-5032653-A Catalysts EXXON CHEMICAL PATENTS, INC. (US) 1991-07-16 US disclosed
EP-0349195-A2 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC. (US) 1990-01-03 EP disclosed