SCHEMBL20091183

SCHEMBL20091183

CCOC(=O)C1OC(C)(C)O[C@H]1[C@H]1OC(C)(C)O[C@@H]1C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.39
PPM1B O75688 1/20 0.35
PTPN1 P18031 1/20 0.35
PPP1CC P36873 1/20 0.35
ALDH1A1 P00352 5/20 0.34
KMT2A Q03164 2/20 0.33
CA2 P00918 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 1/20 0.33
PGD P52209 1/20 0.33
MAPT P10636 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
SCHEMBL20082335 1.00 TSHR (0.41) TSHRLMNAPPM1BPTPN1PPP1CC
SCHEMBL20082320 1.00 TSHR (0.41) TSHRLMNAPPM1BPTPN1PPP1CC
SCHEMBL8626031 1.00 TSHR (0.41) TSHRLMNAPPM1BPTPN1PPP1CC
SCHEMBL21371146 1.00 TSHR (0.41) TSHRLMNAPPM1BPTPN1PPP1CC
SCHEMBL20091169 1.00 TSHR (0.41) TSHRLMNAPPM1BPTPN1PPP1CC
SCHEMBL2749084 0.90 TSHR (0.44) TSHRLMNAPPM1BPTPN1PPP1CC
SCHEMBL30828899 0.90 TSHR (0.44) TSHRLMNAPPM1BPTPN1PPP1CC
SCHEMBL13422928 0.90 TSHR (0.44) TSHRLMNAPPM1BPTPN1PPP1CC
SCHEMBL805599 0.90 TSHR (0.44) TSHRLMNAPPM1BPTPN1PPP1CC
SCHEMBL24066052 0.83 TSHR (0.44) TSHRLMNAPPM1BPTPN1PPP1CC

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-2018074926-A1 BIS-DIOX(OL)ANE COMPOUNDS KONINKLIJKE COOPERATIE COSUN U.A. (NL) 2018-04-26 WO disclosed