SCHEMBL2476909

SCHEMBL2476909

CCCC(NC(=O)c1ccc(OC)cc1)c1ccc(C(=O)NO)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.64
TAS1R1 Q7RTX1 4/20 0.64
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
UTS2R Q9UKP6 8/20 0.60
HDAC6 Q9UBN7 2/20 0.49
HDAC8 Q9BY41 1/20 0.49
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.47
ANPEP P15144 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL2408633 1.00 TAS1R3 (0.64) TAS1R3TAS1R1CA1CA2UTS2R
SCHEMBL709171 0.82 TAS1R3 (0.83) TAS1R3TAS1R1UTS2R
SCHEMBL2408717 0.82 NPC1 (0.63) UTS2R
SCHEMBL12279565 0.79 CA1 (0.70) TAS1R3TAS1R1CA1CA2HDAC6
SCHEMBL29412431 0.79 GAA (0.66) TAS1R3TAS1R1UTS2RGAA
SCHEMBL703239 0.79 TAS1R3 (0.71) TAS1R3TAS1R1UTS2R
SCHEMBL700979 0.79 GAA (0.66) TAS1R3TAS1R1UTS2RGAA
SCHEMBL706016 0.79 TAS1R3 (1.00) TAS1R3TAS1R1CA1CA2HDAC1
SCHEMBL16047315 0.78 HDAC6 (0.51) TAS1R3TAS1R1UTS2RHDAC6HDAC8
SCHEMBL2407896 0.78 HDAC6 (0.51) TAS1R3TAS1R1UTS2RHDAC6HDAC8

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-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed