SCHEMBL10465784

SCHEMBL10465784

CCOC(=O)c1cnc(C(=O)OCC)c(C(=O)OCC)c1C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
HSP90AA1 P07900 1/20 0.47
KDM4E B2RXH2 6/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
DPP4 P27487 1/20 0.45
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RECQL P46063 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL10466216 0.78 TSHR (0.53) TSHRHSP90AA1KDM4ENPC1RAB9A
SCHEMBL10466297 0.78 NUDT1 (0.52) TSHRKDM4ENPC1RAB9AALDH1A1
SCHEMBL9513741 0.78 CA12 (0.43) KDM4ENPC1RAB9AALDH1A1MEN1
SCHEMBL9265692 0.77 KDM4E (0.54) TSHRHSP90AA1KDM4ENPC1RAB9A
SCHEMBL9496451 0.76 ALDH1A1 (0.51) TSHRHSP90AA1KDM4ENPC1RAB9A
SCHEMBL29859779 0.76 TSHR (0.47) TSHRHSP90AA1KDM4ENPC1ALDH1A1
SCHEMBL6559030 0.76 TSHR (0.47) TSHRHSP90AA1KDM4ENPC1ALDH1A1
SCHEMBL28161602 0.75 TSHR (0.65) TSHRKDM4ENPC1RAB9AALDH1A1
SCHEMBL10465834 0.75 CYP2C19 (0.53) TSHRNPC1RAB9AALDH1A1MEN1
SCHEMBL8394462 0.75 HSP90AA1 (0.49) TSHRHSP90AA1KDM4ENPC1RAB9A

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
US-4968803-A FLUORINE AS OXIDANT ALLIED-SIGNAL INC. (US) 1990-11-06 US disclosed