SCHEMBL10548864

SCHEMBL10548864

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
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
SCHEMBL3116054 0.78 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL10622371 0.78 ALDH1A1 (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL23447079 0.76 ZDHHC20 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL379428 0.76 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL1420537 0.76 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL22702010 0.75 PKM (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL4909167 0.74 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL460924 0.74 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL1907643 0.74 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL1420931 0.74 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4806434-A CROSSLINKED ACRYLAMIDE COPOLYMERS; FOR ANALYZING DNA, PROTEINS; LIGHTWEIGHT, TOUGH FUJI PHOTO FILM CO., LTD. (JP) 1989-02-21 US disclosed
US-4769408-A CROSSLINKED ACRYLAMIDE COPOLYMER FUJI PHOTO FILM CO., LTD. (JP) 1988-09-06 US disclosed
EP-0126639-B1 ELEMENT FOR ELECTROPHORESIS Director of the Finance Division Minister's Secretariat Science and Technology Agency (JP) 1988-05-04 EP disclosed
EP-0126638-B1 ELEMENT FOR ELECTROPHORESIS FUJI PHOTO FILM CO., LTD. (JP) 1988-05-04 EP disclosed
EP-0125762-B1 MEDIUM FOR ELECTROPHORESIS FUJI PHOTO FILM CO., LTD. (JP) 1987-06-10 EP disclosed
EP-0125763-B1 MEDIUM FOR ELECTROPHORESIS FUJI PHOTO FILM CO., LTD. (JP) 1987-05-06 EP disclosed
US-4582868-A ACRYLAMIDE COPOLYMERS FUJI PHOTO FILM CO., LTD. (JP) 1986-04-15 US disclosed
US-4579783-A MULTILAYER STRUCTURE-SUPPORT, ADHESINE AND CROSSLINKED POLYACRYLAMIDE GEL Director of The Finance Division, Minister's Secretariat, Science & Technology Agency (JP) 1986-04-01 US disclosed