SCHEMBL22901475

SCHEMBL22901475

CC12OOC1Nc1ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
HTR5A P47898 2/20 0.33
POLB P06746 2/20 0.33
SUV39H1 O43463 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
BRPF1 P55201 1/20 0.32
CREBBP Q92793 1/20 0.32
GAA P10253 3/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR2A P28223 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 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
SCHEMBL5488314 0.81 PDK2 (0.38) PDK2PDK4HTR5APOLBSUV39H1
SCHEMBL12629401 0.64 PDK2 (0.41) PDK2PDK4HTR5AALDH1A1BRPF1
SCHEMBL1316216 0.64 PDK2 (0.41) PDK2PDK4HTR5AALDH1A1BRPF1
SCHEMBL24519732 0.63 PGR (0.36) PDK2PDK4HTR5APOLBALDH1A1
Iodide SCHEMBL7543439 0.63 PDK2 (0.39) PDK2PDK4HTR5AALDH1A1BRPF1
SCHEMBL440976 0.63 OPRM1 (0.30)
SCHEMBL14677972 0.61 ALDH1A1 (0.34) POLBALDH1A1LMNABRPF1CREBBP
SCHEMBL12900962 0.61 PDK2 (0.34) PDK2PDK4HTR5ASUV39H1EHMT2
SCHEMBL15587865 0.60 PDK2 (0.41) PDK2PDK4HTR5AALDH1A1KMT2A
SCHEMBL7759529 0.60 BRD4 (0.44) PDK2PDK4HTR5APOLBSUV39H1

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-20220178833-A1 METHOD FOR DETECTING SKATOLE IN A SAMPLE OF PIG ADIPOSE TISSUE Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2022-06-09 US disclosed
WO-2021009438-A1 METHOD FOR DETECTING SKATOLE IN A SAMPLE OF PIG ADIPOSE TISSUE COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2021-01-21 WO disclosed