SCHEMBL6231234

SCHEMBL6231234

CC(C)(C)c1cc(N(CC=O)CC=O)cc(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.46
RXRG P48443 9/20 0.46
RXRB P28702 8/20 0.46
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
HMGCR P04035 1/20 0.33
CYP2C19 P33261 1/20 0.32
HDAC8 Q9BY41 2/20 0.31
ELANE P08246 1/20 0.31
CD69 Q07108 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
HTR1D P28221 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL88554 0.77 RXRA (0.50) RXRARXRGRXRBGABRA1GABRB2
SCHEMBL2785505 0.74 RXRA (0.50) RXRARXRGRXRBGABRA1GABRB2
SCHEMBL14471533 0.72 GABRA1 (0.41) RXRARXRGRXRBGABRA1GABRB2
SCHEMBL345598 0.71 GABRA1 (0.48) RXRARXRGRXRBGABRA1GABRB2
SCHEMBL9248524 0.70 GABRA1 (0.42) RXRARXRGRXRBGABRA1GABRB2
SCHEMBL43496 0.69 GABRA1 (0.43) RXRARXRGRXRBGABRA1GABRB2
SCHEMBL64462 0.68 RXRB (0.46) RXRARXRGRXRBGABRA1GABRB2
SCHEMBL93161 0.66 GABRA1 (0.69) RXRARXRGRXRBGABRA1GABRB2
SCHEMBL24625060 0.66 GABRA1 (0.42) RXRARXRGRXRBGABRA1GABRB2
SCHEMBL22181552 0.66 GABRA1 (0.48) RXRARXRGRXRBGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0878183-B1 Adhesive system for dental use 3M ESPE AG (DE) 2005-03-23 EP disclosed
US-6100314-A COATING THREE DIFFERENT THIN FILMS ON TEETH, THE ACTIVATOR COMPONENTS IN TWO FILMS REACT TOGETHER INTO CONTACT START THE CURING PROCESS: BY SIMPLE PRESSING, HIGH SPEED; FOR FIXING DENTAL RESTORATIVE MATERIALS TO HARD DENTAL SUBSTANCE ESPE DENTAL AG (DE) 2000-08-08 US disclosed
EP-0878183-A2 Adhesive system for dental use ESPE Dental AG (DE) 1998-11-18 EP disclosed