SCHEMBL3958003

SCHEMBL3958003

C=CCC(C/C=C/CC)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NR1I2 O75469 1/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PTGS2 P35354 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 4/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PKM P14618 3/20 0.33

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
SCHEMBL3958010 1.00 MEN1 (0.39) MEN1KMT2ANR1I2PGRADORA3
SCHEMBL283884 0.89 MEN1 (0.46) MEN1KMT2AALDH1A1TSHRHSD17B10
SCHEMBL3962905 0.86 MEN1 (0.39) MEN1KMT2AALDH1A1TSHRHSD17B10
SCHEMBL3962913 0.86 MEN1 (0.39) MEN1KMT2AALDH1A1TSHRHSD17B10
SCHEMBL17816562 0.83 MEN1 (0.37) MEN1KMT2A
SCHEMBL3519692 0.82 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRHSD17B10
SCHEMBL3963240 0.82 FAAH (0.49) MEN1KMT2APGRADORA3HSD17B10
SCHEMBL3963088 0.82 FAAH (0.49) MEN1KMT2APGRADORA3HSD17B10
SCHEMBL3966580 0.82 FAAH (0.49) MEN1KMT2APGRADORA3HSD17B10
SCHEMBL3966583 0.82 FAAH (0.49) MEN1KMT2APGRADORA3HSD17B10

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
WO-2009038006-A1 RANDOM COPOLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-26 WO disclosed