SCHEMBL9682352

SCHEMBL9682352

CC(C)(CO)CNC(=O)NCC(C)(C)CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
CNR2 P34972 1/20 0.33
TSHR P16473 1/20 0.33
PTGS1 P23219 1/20 0.31
KCNH2 Q12809 1/20 0.31
EPHX1 P07099 3/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31
FKBP1A P62942 1/20 0.31
NUDT1 P36639 1/20 0.31
KDM4C Q9H3R0 1/20 0.30
MAPT P10636 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 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
SCHEMBL622102 0.91 SMN1; SMN2 (0.34) SMN1; SMN2HSD17B10ALDH1A1HTTL3MBTL1
SCHEMBL6284942 0.88 HSD17B10 (0.35) SMN1; SMN2HSD17B10ALDH1A1HTTL3MBTL1
SCHEMBL11256982 0.84 SMN1; SMN2 (0.39) SMN1; SMN2HSD17B10ALDH1A1HTTL3MBTL1
SCHEMBL6289645 0.84 EPHX1 (0.57) EPHX1KDM4C
SCHEMBL13290400 0.82 KDM4E (0.39) SMN1; SMN2HSD17B10ALDH1A1HTTL3MBTL1
SCHEMBL1979548 0.82 SMN1; SMN2 (0.38) SMN1; SMN2HSD17B10ALDH1A1HTTL3MBTL1
SCHEMBL6290116 0.80 SMN1; SMN2 (0.36) SMN1; SMN2HSD17B10ALDH1A1HTTL3MBTL1
SCHEMBL13882997 0.80 ALDH1A1 (0.38) SMN1; SMN2HSD17B10ALDH1A1HTTL3MBTL1
SCHEMBL14472418 0.80 SMN1; SMN2 (0.36) SMN1; SMN2HSD17B10ALDH1A1HTTL3MBTL1
SCHEMBL619040 0.78 MEN1 (0.44) SMN1; SMN2HSD17B10ALDH1A1HTTL3MBTL1

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
US-5158808-A Method of coating with a water borne composition UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1992-10-27 US disclosed
US-5039759-A Water borne high solids coating compositions TECHNOLOGY CORPORATION UNITED CARBIDE CHEMICALS AND PLASTICS (US) 1991-08-13 US disclosed
EP-0212380-B1 AQUEOUS HIGH SOLIDS COATING COMPOSITIONS UNION CARBIDE CORPORATION (US) 1990-09-19 EP disclosed
EP-0212380-A2 Aqueous high solids coating compositions UNION CARBIDE CORPORATION (US) 1987-03-04 EP disclosed
EP-0211359-A1 High solids coating compositions UNION CARBIDE CORPORATION (US) 1987-02-25 EP disclosed