SCHEMBL6594701

SCHEMBL6594701

CCOC(=O)Nc1csc(OC(=O)OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 3/20 0.43
HSD17B10 Q99714 3/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 3/20 0.41
MTNR1B P49286 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 3/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40

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
SCHEMBL11767621 0.72 KDM4E (0.70) KDM4EMAPK1HSD17B10LMNAMAPT
SCHEMBL6223306 0.70 CUL4A (0.41) KDM4EMAPK1HSD17B10LMNAMAPT
SCHEMBL4607222 0.70 KMT2A (0.46) KDM4EHSD17B10KMT2ACYP1A2CYP2C9
SCHEMBL10872998 0.69 KMT2A (0.40) KDM4ELMNAMAPTKMT2AALDH1A1
SCHEMBL2482717 0.69 CUL4A (0.45) KDM4EMAPK1LMNAMAPTKMT2A
SCHEMBL4608245 0.69 CYP1A2 (0.48) KDM4EKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL7565510 0.69 RAB9A (0.71) KDM4EMAPK1HSD17B10LMNAMAPT
SCHEMBL1937060 0.68 HSD17B10 (0.33) KDM4EMAPK1HSD17B10LMNAMAPT
SCHEMBL10791960 0.68 KDM4E (0.64) KDM4EMAPK1HSD17B10LMNAMAPT
SCHEMBL11790359 0.68 RAB9A (0.65) KDM4EMAPK1HSD17B10LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 EP disclosed