SCHEMBL19717992

SCHEMBL19717992

C=C(C)C(=O)OCCNC(=O)CCCCC(S)CCS

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
THRB P10828 1/20 0.34
LPAR1 Q92633 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
HPGD P15428 2/20 0.32
HDAC3 O15379 4/20 0.32
HDAC4 P56524 4/20 0.32
HDAC1 Q13547 4/20 0.32
HDAC7 Q8WUI4 4/20 0.32
HDAC2 Q92769 4/20 0.32
HDAC10 Q969S8 4/20 0.32
HDAC11 Q96DB2 4/20 0.32
HDAC8 Q9BY41 4/20 0.32
HDAC6 Q9UBN7 4/20 0.32
HDAC9 Q9UKV0 4/20 0.32
HDAC5 Q9UQL6 4/20 0.32
GLP1R P43220 5/20 0.31
DNM1 Q05193 2/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL16425936 0.82 TSHR (0.51) TSHRTHRBLPAR1LPAR2HPGD
SCHEMBL8906649 0.82 THRB (0.41) TSHRTHRBDNM1HTTALDH1A1
SCHEMBL29217398 0.81 THRB (0.43) TSHRTHRBHDAC3HDAC4HDAC1
SCHEMBL4915028 0.81 TSHR (0.54) TSHRTHRBLPAR1LPAR2HPGD
SCHEMBL24099523 0.81 TSHR (0.50) TSHRTHRBLPAR1LPAR2HPGD
SCHEMBL4916547 0.80 TSHR (0.57) TSHRTHRBLPAR1LPAR2HPGD
SCHEMBL28538863 0.80 TSHR (0.48) TSHRTHRBDNM1HTTALDH1A1
SCHEMBL27756449 0.80 TSHR (0.48) TSHRTHRBDNM1HTTALDH1A1
SCHEMBL29191364 0.80 TSHR (0.48) TSHRTHRBDNM1HTTALDH1A1
SCHEMBL4918092 0.79 TSHR (0.51) TSHRTHRBHPGDHTTSMN1; SMN2

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
EP-3468633-A1 SURFACE-COATED CONTINUOUS GLUCOSE MONITORS Massachusetts Institute Of Technology (US) 2019-04-17 EP disclosed
WO-2017218520-A1 SURFACE-COATED CONTINUOUS GLUCOSE MONITORS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-12-21 WO disclosed