SCHEMBL797438

SCHEMBL797438

CCOC(=O)CC1NC(=O)OC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.34
TRPA1 O75762 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
KMT2A Q03164 3/20 0.33
MIF P14174 1/20 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
SCHEMBL796887 0.84 CYP1A2 (0.37) CYP1A2ABL1RIN1TDP1MGAM
SCHEMBL14366420 0.84 CYP1A2 (0.37) CYP1A2ABL1RIN1TDP1MGAM
SCHEMBL21594597 0.81 CYP1A2 (0.41) CYP1A2ABL1RIN1TDP1TSHR
SCHEMBL11957432 0.80 NPSR1 (0.35) CYP1A2TDP1GAATSHRHSD17B10
SCHEMBL4931482 0.79 PLA2G10 (0.34) GAAPOLBMIF
SCHEMBL24420094 0.76 HTT (0.33) CYP1A2ABL1RIN1TDP1GAA
SCHEMBL9886347 0.76 GLA (0.55) CYP1A2TDP1ALDH1A1KMT2AMAPK1
SCHEMBL4413019 0.76 GLA (0.55) CYP1A2TDP1ALDH1A1KMT2AMAPK1
SCHEMBL9917628 0.76 GLA (0.55) CYP1A2TDP1ALDH1A1KMT2AMAPK1
SCHEMBL24066796 0.74 TSHR (0.35) CYP1A2ABL1RIN1TDP1TSHR

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
EP-2406300-B1 METHOD FOR THE PRODUCTION OF POLYAMINO ACID RANDOM COPOLYMERS SIGMA ALDRICH CO LLC (US) 2016-11-16 EP disclosed
US-20120071612-A1 METHOD FOR THE PRODUCTION OF POLYAMINO ACID RANDOM COPOLYMERS SIGMA-ALDRICH CO., LLC (US) 2012-03-22 US disclosed
US-20120071612-A1 METHOD FOR THE PRODUCTION OF POLYAMINO ACID RANDOM COPOLYMERS SIGMA-ALDRICH CO., LLC (US) 2012-03-22 US disclosed