SCHEMBL30828899

SCHEMBL30828899

CCOC(=O)[C@H]1OC(C)(C)O[C@H]1C(=O)OCC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
LMNA P02545 3/20 0.42
ALDH1A1 P00352 4/20 0.39
PPM1B O75688 1/20 0.38
PTPN1 P18031 1/20 0.38
PPP1CC P36873 1/20 0.38
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
PGD P52209 1/20 0.36
SOAT1 P35610 1/20 0.36
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL805599 1.00 TSHR (0.44) TSHRLMNAALDH1A1PPM1BPTPN1
SCHEMBL2749084 1.00 TSHR (0.44) TSHRLMNAALDH1A1PPM1BPTPN1
SCHEMBL13422928 1.00 TSHR (0.44) TSHRLMNAALDH1A1PPM1BPTPN1
SCHEMBL12540224 0.92 LMNA (0.41) TSHRLMNAALDH1A1PPM1BPTPN1
SCHEMBL21001793 0.92 TSHR (0.44) TSHRLMNAALDH1A1PPM1BPTPN1
SCHEMBL24066052 0.92 TSHR (0.44) TSHRLMNAALDH1A1PPM1BPTPN1
SCHEMBL29183553 0.92 TSHR (0.44) TSHRLMNAALDH1A1PPM1BPTPN1
SCHEMBL803723 0.92 LMNA (0.41) TSHRLMNAALDH1A1PPM1BPTPN1
SCHEMBL6530767 0.92 TSHR (0.44) TSHRLMNAALDH1A1PPM1BPTPN1
SCHEMBL28544198 0.92 TSHR (0.44) TSHRLMNAALDH1A1PPM1BPTPN1

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
EP-3704120-B1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT EPISCRIBE LLC (US) 2024-03-06 EP disclosed