SCHEMBL20086243

SCHEMBL20086243

CCOC(=O)NC1CC(C)(C)CC(C)(CNC)C1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
LMNA P02545 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HSD11B1 P28845 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EPHX1 P07099 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL982002 0.90 TSHR (0.74) TSHRLMNAALDH1A1HSD11B1NFKB1
SCHEMBL92154 0.89 TSHR (0.64) TSHREPHX1TDP1
SCHEMBL18323868 0.88 TSHR (0.71) TSHRLMNAALDH1A1HSD11B1NFKB1
SCHEMBL25825573 0.87 TSHR (0.78) TSHRALDH1A1TDP1
SCHEMBL17380031 0.87 TSHR (0.66) TSHRLMNAALDH1A1HSD11B1NFKB1
SCHEMBL17380026 0.85 TSHR (0.67) TSHRLMNAALDH1A1HSD11B1NFKB1
SCHEMBL10044269 0.85 TSHR (0.84) TSHRLMNAALDH1A1NFKB1NFKB2
SCHEMBL19444538 0.84 TSHR (0.58) TSHRLMNAALDH1A1HSD11B1NFKB1
Urethane SCHEMBL27946617 0.84 TSHR (0.66) TSHRLMNAALDH1A1HSD11B1NFKB1
SCHEMBL86250 0.84 TSHR (0.56) TSHRALDH1A1KMT2ATDP1

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
US-10407574-B2 Composition with self-healing property, film with self-healing property and device including the film SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-09-10 US disclosed
US-20180112080-A1 SELF-HEALING COMPOSRTION, SELF-HEALING FILM, AND DEVICE INCLUDING THE SELF- HEALING FILM SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-04-26 US disclosed
US-20180112080-A1 SELF-HEALING COMPOSRTION, SELF-HEALING FILM, AND DEVICE INCLUDING THE SELF- HEALING FILM SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-04-26 US disclosed