SCHEMBL9989476

SCHEMBL9989476

COc1ccc2oc(C(=O)NC(CC3CCCCC3)C(=O)O)cc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.63
CTSS P25774 2/20 0.63
CTSK P43235 2/20 0.63
TAS1R3 Q7RTX0 12/20 0.59
TAS1R1 Q7RTX1 12/20 0.59
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL9989471 1.00 CTSL (0.63) CTSLCTSSCTSKTAS1R3TAS1R1
SCHEMBL701973 0.92 TAS1R3 (0.68) CTSLCTSSCTSKTAS1R3TAS1R1
SCHEMBL701974 0.92 TAS1R3 (0.68) CTSLCTSSCTSKTAS1R3TAS1R1
SCHEMBL20853665 0.81 TAS1R3 (0.61) CTSLCTSSCTSKTAS1R3TAS1R1
SCHEMBL12071089 0.81 TAS1R3 (0.66) TAS1R3TAS1R1KMT2AHDAC3HDAC4
SCHEMBL12072870 0.81 TAS1R3 (0.66) TAS1R3TAS1R1KMT2AHDAC3HDAC4
SCHEMBL12072230 0.80 TAS1R3 (0.65) TAS1R3TAS1R1MEN1KMT2A
SCHEMBL12071238 0.80 TAS1R3 (0.65) TAS1R3TAS1R1MEN1KMT2A
SCHEMBL12071087 0.78 TAS1R3 (0.62) TAS1R3TAS1R1
SCHEMBL12073443 0.78 TAS1R3 (0.62) TAS1R3TAS1R1HDAC3HDAC1HDAC2

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
WO-2011159781-A2 BITTER TASTE MODULATORS SENOMYX, INC. (US) 2011-12-22 WO disclosed
WO-2011159781-A2 BITTER TASTE MODULATORS SENOMYX, INC. (US) 2011-12-22 WO disclosed