SCHEMBL1292145

SCHEMBL1292145

CCC1(C(=O)OC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
TACR1 P25103 1/20 0.39
RECQL P46063 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.37
JAK1 P23458 1/20 0.36
MMP2 P08253 2/20 0.36
MMP13 P45452 2/20 0.36
ADAM17 P78536 2/20 0.36
MMP14 P50281 1/20 0.36

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
SCHEMBL2157135 0.91 USP2 (0.51) USP2SMN1; SMN2CYP4F2CYP4A11RECQL
SCHEMBL3970403 0.85 PKM (0.49) USP2SMN1; SMN2CYP4F2CYP4A11RECQL
SCHEMBL28689933 0.84 USP2 (0.45) USP2SMN1; SMN2CYP4F2CYP4A11TACR1
SCHEMBL963907 0.84 USP2 (0.47) USP2SMN1; SMN2CYP4F2CYP4A11RECQL
SCHEMBL28691062 0.83 USP2 (0.44) USP2SMN1; SMN2CYP4F2CYP4A11TACR1
SCHEMBL965651 0.82 USP2 (0.51) USP2SMN1; SMN2CYP4F2CYP4A11TACR1
SCHEMBL28986539 0.82 USP2 (0.45) USP2SMN1; SMN2CYP4F2CYP4A11TACR1
SCHEMBL28797839 0.82 USP2 (0.45) USP2SMN1; SMN2CYP4F2CYP4A11RECQL
SCHEMBL3160087 0.82 USP2 (0.45) USP2SMN1; SMN2CYP4F2CYP4A11RECQL
SCHEMBL17830841 0.81 USP2 (0.50) USP2SMN1; SMN2CYP4F2CYP4A11RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2625178-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS Biota Europe Ltd (GB) 2013-08-14 EP disclosed
WO-2012045124-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS BIOTA EUROPE LTD (GB) 2012-04-12 WO disclosed