SCHEMBL20404237

SCHEMBL20404237

CCC(C)C(C)C(CC)NC(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 10/20 0.67
TAS1R1 Q7RTX1 10/20 0.67
SMN1; SMN2 Q16637 3/20 0.57
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
PKM P14618 2/20 0.52
TSHR P16473 1/20 0.52
ALPL P05186 1/20 0.50
GAA P10253 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49

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
SCHEMBL31611823 0.88 TAS1R3 (0.67) TAS1R3TAS1R1SMN1; SMN2KMT2AMEN1
SCHEMBL23440060 0.83 TAS1R3 (0.70) TAS1R3TAS1R1SMN1; SMN2KMT2AMEN1
SCHEMBL31611734 0.82 TAS1R3 (0.78) TAS1R3TAS1R1SMN1; SMN2KMT2AMEN1
SCHEMBL701860 0.81 TAS1R3 (0.71) TAS1R3TAS1R1SMN1; SMN2KMT2AMEN1
SCHEMBL702057 0.81 TAS1R3 (1.00) TAS1R3TAS1R1SMN1; SMN2KMT2AMEN1
SCHEMBL702056 0.81 TAS1R3 (1.00) TAS1R3TAS1R1SMN1; SMN2KMT2AMEN1
SCHEMBL11142926 0.80 TAS1R3 (0.67) TAS1R3TAS1R1SMN1; SMN2KMT2AMEN1
SCHEMBL703437 0.79 TAS1R3 (0.75) TAS1R3TAS1R1SMN1; SMN2KMT2AMEN1
Propionic Acid SCHEMBL11143657 0.78 TAS1R3 (0.65) TAS1R3TAS1R1SMN1; SMN2KMT2AMEN1
SCHEMBL5010361 0.77 TAS1R3 (0.61) TAS1R3TAS1R1SMN1; SMN2KMT2AMEN1

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
EP-3235811-B1 PROCESS OF PREPARING OXALAMIDES SENOMYX INC (US) 2018-07-25 EP disclosed