SCHEMBL17307331

SCHEMBL17307331

CC(C)(C)CNC(=O)c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.53
RAB9A P51151 4/20 0.53
LMNA P02545 2/20 0.53
PRSS1 P07477 1/20 0.53
CTSG P08311 1/20 0.53
CTRB1 P17538 1/20 0.53
CMA1 P23946 1/20 0.53
NAMPT P43490 1/20 0.51
NPC1 O15118 3/20 0.50
ACSS2 Q9NR19 1/20 0.48
ADORA2A P29274 1/20 0.48
POLB P06746 3/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
ESRRG P62508 1/20 0.47
CNR2 P34972 1/20 0.46
GAA P10253 1/20 0.46
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 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
SCHEMBL10224288 0.86 PRSS1 (0.67) HDAC6RAB9ALMNAPRSS1CTSG
SCHEMBL17865785 0.84 ADORA2A (0.59) HDAC6RAB9ALMNAPRSS1CTSG
SCHEMBL13608858 0.83 ACSS2 (0.56) HDAC6RAB9ALMNANPC1ACSS2
SCHEMBL19728223 0.83 RAB9A (0.58) HDAC6RAB9ALMNAPRSS1CTSG
SCHEMBL25779518 0.83 RAB9A (0.58) HDAC6RAB9ALMNAPRSS1CTSG
SCHEMBL13483866 0.81 RAB9A (0.60) HDAC6RAB9ALMNANPC1ESRRG
SCHEMBL17308836 0.81 HDAC6 (0.60) HDAC6RAB9ALMNANPC1POLB
SCHEMBL2332445 0.78 PRSS1 (0.61) RAB9ALMNAPRSS1CTSGCTRB1
SCHEMBL21590340 0.78 PRSS1 (0.65) HDAC6RAB9ALMNAPRSS1CTSG
SCHEMBL22040703 0.78 HDAC1 (0.60) HDAC6NAMPTADORA2ACNR2

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
US-9865367-B2 Process and apparatus for separation of technetium-99M from molybdate TRIUMF, A JOINT VENTURE (CA) 2018-01-09 US disclosed
US-20150348662-A1 PROCESS AND APPARATUS FOR SEPARATION OF TECHNETIUM-99M FROM MOLYBDATE The Governors of the University of Alberta, The University of British Columbia, Carleton Unive (CA) 2015-12-03 US disclosed