SCHEMBL19781308

SCHEMBL19781308

CNC(S)CNCC(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
HSD17B10 Q99714 2/20 0.39
TET2 Q6N021 1/20 0.38
RECQL P46063 1/20 0.36
GAA P10253 4/20 0.34
MGAM O43451 2/20 0.34
SI P14410 2/20 0.34
MGAM2 Q2M2H8 2/20 0.34
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL19780901 0.84 TSHR (0.37) TSHRHSD17B10TET2RECQLGAA
SCHEMBL20362833 0.81 TSHR (0.41) TSHRHSD17B10TET2RECQLGAA
SCHEMBL3604649 0.76 CA12 (0.44) TSHRHSD17B10TET2RECQLGAA
SCHEMBL21946049 0.74 TSHR (0.40) TSHRHSD17B10TET2RECQLGAA
Hydrochloric Acid SCHEMBL18577216 0.74 CA12 (0.43) TSHRHSD17B10TET2RECQLGAA
SCHEMBL16894217 0.74 TSHR (0.40) TSHRHSD17B10TET2RECQLGAA
SCHEMBL73416 0.74 TSHR (0.56) TSHRHSD17B10TET2RECQLGAA
SCHEMBL3076938 0.73 TET2 (0.36) TSHRHSD17B10TET2RECQLGAA
SCHEMBL21708634 0.72 TET2 (0.39) TSHRHSD17B10TET2RECQLGAA
SCHEMBL11237051 0.72 TET2 (0.39) TSHRHSD17B10TET2RECQLGAA

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-2018011320-A1 PNA PROBE Destina Genomica S.L. (ES) 2018-01-18 WO disclosed