SCHEMBL9052824

SCHEMBL9052824

CCOC(=O)C(CC)(CC(C)C)C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.53
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34

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
SCHEMBL10358539 0.93 MMP8 (0.47) MMP8MEN1KMT2ATSHRALDH1A1
SCHEMBL234014 0.91 MMP8 (0.56) MMP8MEN1KMT2ATSHRALDH1A1
SCHEMBL28149560 0.90 MMP8 (0.49) MMP8MEN1KMT2ATSHRALDH1A1
SCHEMBL10909507 0.90 MMP8 (0.49) MMP8MEN1KMT2ATSHRALDH1A1
Potassium Ion SCHEMBL10910202 0.87 MMP8 (0.46) MMP8MEN1KMT2ATSHRALDH1A1
SCHEMBL10910945 0.87 MMP8 (0.46) MMP8MEN1KMT2ATSHRALDH1A1
SCHEMBL2319226 0.86 MMP8 (0.51) MMP8MEN1KMT2ATSHRALDH1A1
SCHEMBL9364104 0.86 MMP8 (0.51) MMP8MEN1KMT2ATSHRALDH1A1
SCHEMBL27724022 0.86 MMP8 (0.51) MMP8MEN1KMT2ATSHRALDH1A1
SCHEMBL13269415 0.84 MMP8 (0.44) MMP8MEN1KMT2ATSHRALDH1A1

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
WO-1996001806-A1 GLYCINAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND METHODS UTILIZING THE SAME YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1996-01-25 WO disclosed
US-4632785-A CARBOXYLIC ACID AMINE SALT; STORAGE STABILITY OF ISOCYANATE PREMIXES THE DOW CHEMICAL COMPANY (US) 1986-12-30 US disclosed
US-4540781-A Product and process trimerization of organic isocyanates THE UPJOHN COMPANY (US) 1985-09-10 US disclosed